data_General
_audit_creation_date                  '2008-11-13'
_audit_creation_method                'by CrystalStructure 3.8'
_audit_update_record                   ?

#==============================================================================

# PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic     ?
_journal_date_from_coeditor       ?
_journal_date_accepted            ?
_journal_coeditor_code            ?

#==============================================================================

# SUBMISSION DETAILS

_publ_contact_author_name             'Noriaki Hirayama'
_publ_contact_author_email            'hirayama@is.icc.u-tokai.ac.jp'
_publ_contact_author_fax              'none'
_publ_contact_author_phone            '+81-463-93-1121'
_publ_contact_letter
;
    ENTER TEXT OF LETTER
;
_publ_requested_journal               'Analytical Sciences'
_publ_requested_category              'CHOOSE FI FM FO CI CM CO or AD'
_publ_requested_coeditor_name          ?

#==============================================================================

# TITLE AND AUTHOR LIST

_publ_section_title
;
    ENTER SECTION TITLE
;
_publ_section_title_footnote
;
    ENTER FOOTNOTE TO TITLE OF PAPER
;
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
' FIRST AUTHORS NAME '
;
  FIRST AUTHORS FOOTNOTES
;
;
  FIRST AUTHORS ADDRESS
;
_publ_section_synopsis
;
  ENTER SYNOPSIS
;

#==============================================================================

# TEXT

_publ_section_abstract
;
    ENTER ABSTRACT
;
_publ_section_comment
;
    ENTER TEXT
;
_publ_section_references
;
    ENTER OTHER REFERENCES

    Rigaku Americas and Rigaku Corporation. (2007).
    CrystalStructure (Version 3.8). 
    Single Crystal Structure Analysis Software.
    Rigaku Americas, 9009 TX, USA 77381-5209.
    Rigaku, Tokyo 196-8666, Japan.

    Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., 
    Burla, M., Polidori, G., and Camalli, M. (1994) J. Appl. Cryst., 27, 435. 
    SIR92

    Carruthers, J.R., Rollett,J.S., Betteridge, P.W.,
	 Kinna, D., Pearce, L., Larsen, A., and Gabe, E.(1999)
    CRYSTALS Issue 11, Chemical Crystallography Laboratory, Oxford, UK.

;
_publ_section_figure_captions
;
    ENTER FIGURE CAPTIONS
;
_publ_section_exptl_prep
;
    ENTER COMPOUND PREPARATION DETAILS
;
_publ_section_exptl_refinement
;
    ENTER SPECIAL DETAILS OF THE REFINEMENT
;

#==============================================================================

data__Guanfacine Hydrochloride

#==============================================================================

# CHEMICAL DATA

_chemical_formula_sum                  'C9 H10 Cl3 N3 O '
_chemical_formula_moiety               'C9 H10 Cl3 N3 O '
_chemical_formula_weight               282.56
_chemical_melting_point                ?

#==============================================================================

# CRYSTAL DATA
_symmetry_cell_setting                 orthorhombic
_symmetry_space_group_name_H-M        'P b c n'
_symmetry_space_group_name_Hall       '-P 2n 2ab'
_symmetry_Int_Tables_number            60
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1   '+X,+Y,+Z'
2   '1/2-X,1/2+Y,+Z'
3   '+X,-Y,1/2+Z'
4   '1/2-X,1/2-Y,1/2+Z'
5   '-X,-Y,-Z'
6   '1/2+X,1/2-Y,-Z'
7   '-X,+Y,1/2-Z'
8   '1/2+X,1/2+Y,1/2-Z'

#------------------------------------------------------------------------------

_cell_length_a                         14.439(3)
_cell_length_b                         8.3664(18)
_cell_length_c                         39.656(8)
_cell_angle_alpha                      90.0000
_cell_angle_beta                       90.0000
_cell_angle_gamma                      90.0000
_cell_volume                           4790.6(17)
_cell_formula_units_Z                  16
_cell_measurement_reflns_used          38282
_cell_measurement_theta_min            3.1
_cell_measurement_theta_max            68.6
_cell_measurement_temperature          293.1

#------------------------------------------------------------------------------

_exptl_crystal_description            'platelet'
_exptl_crystal_colour                 'colorless'
_exptl_crystal_size_max                0.30
_exptl_crystal_size_mid                0.10
_exptl_crystal_size_min                0.05
_exptl_crystal_density_diffrn          1.567
_exptl_crystal_density_meas            ?
_exptl_crystal_density_method         'not measured'
_exptl_crystal_F_000                   2304.00
_exptl_absorpt_coefficient_mu          6.800
_exptl_absorpt_correction_type         multi-scan
_exptl_absorpt_process_details         
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_correction_T_min        0.247
_exptl_absorpt_correction_T_max        0.712

#==============================================================================

# EXPERIMENTAL DATA

_diffrn_radiation_type                'Cu K\a'
_diffrn_radiation_wavelength           1.54187
_diffrn_measurement_device_type       'Rigaku RAXIS-RAPID'
_diffrn_measurement_method             ω
_diffrn_detector_area_resol_mean       10.00
_diffrn_reflns_number                  34984
_diffrn_reflns_av_R_equivalents        0.083
_diffrn_reflns_theta_max               68.24
_diffrn_measured_fraction_theta_max    0.964
_diffrn_reflns_theta_full              68.24
_diffrn_measured_fraction_theta_full   0.964
_diffrn_reflns_limit_h_min             -17
_diffrn_reflns_limit_h_max             16
_diffrn_reflns_limit_k_min             -9
_diffrn_reflns_limit_k_max             8
_diffrn_reflns_limit_l_min             -47
_diffrn_reflns_limit_l_max             46

#==============================================================================

# REFINEMENT DATA

_refine_special_details
;
    Refinement was performed using reflections with F² > 1.0 sigma(F²).
    The weighted     R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total                   4218
_reflns_number_gt                      1702
_reflns_threshold_expression           F²>2.0σ(F²)
_refine_ls_structure_factor_coef       Fsqd
_refine_ls_R_factor_gt                 0.0640
_refine_ls_wR_factor_ref               0.1368
_refine_ls_hydrogen_treatment          noref
_refine_ls_number_reflns               2598
_refine_ls_number_parameters           289
_refine_ls_goodness_of_fit_ref         1.008
_refine_ls_weighting_scheme            calc
_refine_ls_weighting_details
'w = 1/[0.0010Fo² + 1.0000σ(Fo²)]/(4Fo²)'
_refine_ls_shift/su_max                0.0028
_refine_diff_density_max               0.55
_refine_diff_density_min               -0.41
_refine_ls_extinction_method           none
_refine_ls_extinction_coef             ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
  'C' 'C'  0.018 0.009 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'H' 'H'  0.000 0.000 
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
  'Cl' 'Cl'  0.364 0.702 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'N' 'N'  0.031 0.018 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'O' 'O'  0.049 0.032 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================

# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
 Cl(101) Cl 0.63030(19) -0.2462(2) 0.22487(7) 0.0805(9) Uani 1.00 1 d . . .
 Cl(102) Cl 0.62757(17) 0.3694(2) 0.18438(6) 0.0759(8) Uani 1.00 1 d . . .
 Cl(103) Cl 0.73397(14) 0.3271(2) 0.08483(5) 0.0537(6) Uani 1.00 1 d . . .
 Cl(201) Cl 0.57051(14) 0.6379(2) 0.12506(5) 0.0583(7) Uani 1.00 1 d . . .
 Cl(202) Cl 0.25647(16) 0.3109(2) 0.09877(5) 0.0684(7) Uani 1.00 1 d . . .
 Cl(203) Cl 0.36987(15) 0.0771(2) 0.01691(5) 0.0519(6) Uani 1.00 1 d . . .
 O(101) O 0.4892(3) 0.0332(7) 0.15883(13) 0.062(2) Uani 1.00 1 d . . .
 O(201) O 0.4123(4) 0.6778(7) 0.05501(13) 0.059(2) Uani 1.00 1 d . . .
 N(101) N 0.5905(3) 0.0214(7) 0.11464(14) 0.0384(18) Uani 1.00 1 d . . .
 N(102) N 0.5663(4) -0.0057(9) 0.05868(16) 0.061(2) Uani 1.00 1 d . . .
 N(103) N 0.4407(4) 0.0163(7) 0.09323(15) 0.045(2) Uani 1.00 1 d . . .
 N(201) N 0.3947(4) 0.4534(6) 0.02346(16) 0.044(2) Uani 1.00 1 d . . .
 N(202) N 0.3438(4) 0.4185(7) -0.03094(15) 0.054(2) Uani 1.00 1 d . . .
 N(203) N 0.3634(4) 0.6715(7) -0.01109(14) 0.048(2) Uani 1.00 1 d . . .
 C(101) C 0.5670(6) 0.0278(10) 0.14872(19) 0.045(2) Uani 1.00 1 d . . .
 C(102) C 0.6504(6) 0.0178(10) 0.1708(2) 0.055(2) Uani 1.00 1 d . . .
 C(103) C 0.6344(5) 0.0671(9) 0.20710(18) 0.038(2) Uani 1.00 1 d . . .
 C(104) C 0.6283(5) -0.0423(9) 0.2333(2) 0.051(2) Uani 1.00 1 d . . .
 C(105) C 0.6170(6) 0.0024(13) 0.2663(2) 0.062(3) Uani 1.00 1 d . . .
 C(106) C 0.6135(6) 0.1642(14) 0.2737(2) 0.063(3) Uani 1.00 1 d . . .
 C(107) C 0.6178(5) 0.2766(9) 0.2485(2) 0.057(3) Uani 1.00 1 d . . .
 C(108) C 0.6271(5) 0.2268(10) 0.2156(2) 0.049(2) Uani 1.00 1 d . . .
 C(109) C 0.5300(5) 0.0106(9) 0.08922(19) 0.040(2) Uani 1.00 1 d . . .
 C(201) C 0.4163(5) 0.5333(10) 0.0521(2) 0.044(2) Uani 1.00 1 d . . .
 C(202) C 0.4491(5) 0.4237(9) 0.08071(19) 0.047(2) Uani 1.00 1 d . . .
 C(203) C 0.4120(5) 0.4761(8) 0.11447(19) 0.035(2) Uani 1.00 1 d . . .
 C(204) C 0.4600(5) 0.5720(8) 0.1367(2) 0.040(2) Uani 1.00 1 d . . .
 C(205) C 0.4257(6) 0.6190(10) 0.1675(2) 0.055(3) Uani 1.00 1 d . . .
 C(206) C 0.3400(7) 0.5675(11) 0.1768(2) 0.065(3) Uani 1.00 1 d . . .
 C(207) C 0.2874(6) 0.4682(10) 0.1561(2) 0.059(3) Uani 1.00 1 d . . .
 C(208) C 0.3241(5) 0.4265(9) 0.1250(2) 0.047(2) Uani 1.00 1 d . . .
 C(209) C 0.3665(5) 0.5193(9) -0.00643(19) 0.037(2) Uani 1.00 1 d . . .
 H(1) H 0.6727 -0.0886 0.1705 0.064 Uiso 1.00 1 c R . .
 H(2) H 0.6967 0.0872 0.1616 0.064 Uiso 1.00 1 c R . .
 H(3) H 0.6101 -0.0743 0.2838 0.075 Uiso 1.00 1 c R . .
 H(4) H 0.6089 0.1989 0.2962 0.076 Uiso 1.00 1 c R . .
 H(5) H 0.6143 0.3882 0.2537 0.069 Uiso 1.00 1 c R . .
 H(6) H 0.4288 0.3179 0.0763 0.055 Uiso 1.00 1 c R . .
 H(7) H 0.5148 0.4261 0.0815 0.055 Uiso 1.00 1 c R . .
 H(8) H 0.4613 0.6840 0.1820 0.065 Uiso 1.00 1 c R . .
 H(9) H 0.3159 0.5998 0.1980 0.079 Uiso 1.00 1 c R . .
 H(10) H 0.2285 0.4305 0.1630 0.071 Uiso 1.00 1 c R . .
 H(11) H 0.6544 0.0251 0.1090 0.046 Uiso 1.00 1 c R . .
 H(12) H 0.6316 -0.0033 0.0555 0.071 Uiso 1.00 1 c R . .
 H(13) H 0.5268 -0.0094 0.0392 0.071 Uiso 1.00 1 c R . .
 H(14) H 0.4150 0.0290 0.1153 0.056 Uiso 1.00 1 c R . .
 H(15) H 0.4001 0.0092 0.0744 0.056 Uiso 1.00 1 c R . .
 H(16) H 0.3986 0.3393 0.0241 0.051 Uiso 1.00 1 c R . .
 H(17) H 0.3469 0.3054 -0.0273 0.067 Uiso 1.00 1 c R . .
 H(18) H 0.3238 0.4576 -0.0522 0.067 Uiso 1.00 1 c R . .
 H(19) H 0.3808 0.7409 0.0065 0.060 Uiso 1.00 1 c R . .
 H(20) H 0.3438 0.7110 -0.0322 0.060 Uiso 1.00 1 c R . .



#==============================================================================

_computing_data_collection            'PROCESS-AUTO'
_computing_cell_refinement            'PROCESS-AUTO'
_computing_data_reduction             'CrystalStructure'
_computing_structure_solution         'SIR92'
_computing_structure_refinement       'CRYSTALS'
_computing_publication_material       'CrystalStructure 3.8'
_computing_molecular_graphics          ?

#==============================================================================

# MOLECULAR GEOMETRY

_geom_special_details
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Cl(101) C(104) 1.739(8) yes . .
Cl(102) C(108) 1.720(8) yes . .
Cl(201) C(204) 1.751(7) yes . .
Cl(202) C(208) 1.722(8) yes . .
O(101) C(101) 1.193(10) yes . .
O(201) C(201) 1.216(10) yes . .
N(101) C(101) 1.395(9) yes . .
N(101) C(109) 1.337(9) yes . .
N(102) C(109) 1.327(9) yes . .
N(103) C(109) 1.299(10) yes . .
N(201) C(201) 1.353(10) yes . .
N(201) C(209) 1.369(9) yes . .
N(202) C(209) 1.328(9) yes . .
N(203) C(209) 1.288(10) yes . .
C(101) C(102) 1.492(11) yes . .
C(102) C(103) 1.515(10) yes . .
C(103) C(104) 1.389(11) yes . .
C(103) C(108) 1.382(11) yes . .
C(104) C(105) 1.370(12) yes . .
C(105) C(106) 1.385(16) yes . .
C(106) C(107) 1.372(13) yes . .
C(107) C(108) 1.377(12) yes . .
C(201) C(202) 1.534(11) yes . .
C(202) C(203) 1.507(10) yes . .
C(203) C(204) 1.379(10) yes . .
C(203) C(208) 1.399(11) yes . .
C(204) C(205) 1.374(11) yes . .
C(205) C(206) 1.361(13) yes . .
C(206) C(207) 1.393(13) yes . .
C(207) C(208) 1.389(12) yes . .
N(101) H(11) 0.949 no . .
N(102) H(12) 0.951 no . .
N(102) H(13) 0.961 no . .
N(103) H(14) 0.958 no . .
N(103) H(15) 0.951 no . .
N(201) H(16) 0.956 no . .
N(202) H(17) 0.958 no . .
N(202) H(18) 0.951 no . .
N(203) H(19) 0.942 no . .
N(203) H(20) 0.944 no . .
C(102) H(1) 0.947 no . .
C(102) H(2) 0.957 no . .
C(105) H(3) 0.950 no . .
C(106) H(4) 0.944 no . .
C(107) H(5) 0.957 no . .
C(202) H(6) 0.949 no . .
C(202) H(7) 0.950 no . .
C(205) H(8) 0.943 no . .
C(206) H(9) 0.949 no . .
C(207) H(10) 0.949 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
C(101) N(101) C(109) 125.0(6) yes . . .
C(201) N(201) C(209) 126.5(6) yes . . .
O(101) C(101) N(101) 123.8(7) yes . . .
O(101) C(101) C(102) 124.4(7) yes . . .
N(101) C(101) C(102) 111.7(6) yes . . .
C(101) C(102) C(103) 114.8(6) yes . . .
C(102) C(103) C(104) 122.8(7) yes . . .
C(102) C(103) C(108) 120.5(7) yes . . .
C(104) C(103) C(108) 116.7(7) yes . . .
Cl(101) C(104) C(103) 120.1(6) yes . . .
Cl(101) C(104) C(105) 117.0(6) yes . . .
C(103) C(104) C(105) 122.9(7) yes . . .
C(104) C(105) C(106) 118.2(8) yes . . .
C(105) C(106) C(107) 121.0(8) yes . . .
C(106) C(107) C(108) 119.1(8) yes . . .
Cl(102) C(108) C(103) 119.6(6) yes . . .
Cl(102) C(108) C(107) 118.3(6) yes . . .
C(103) C(108) C(107) 122.1(7) yes . . .
N(101) C(109) N(102) 115.9(6) yes . . .
N(101) C(109) N(103) 123.6(6) yes . . .
N(102) C(109) N(103) 120.5(6) yes . . .
O(201) C(201) N(201) 124.1(7) yes . . .
O(201) C(201) C(202) 122.5(7) yes . . .
N(201) C(201) C(202) 113.4(6) yes . . .
C(201) C(202) C(203) 111.9(6) yes . . .
C(202) C(203) C(204) 124.0(6) yes . . .
C(202) C(203) C(208) 120.0(6) yes . . .
C(204) C(203) C(208) 116.0(7) yes . . .
Cl(201) C(204) C(203) 118.2(6) yes . . .
Cl(201) C(204) C(205) 118.2(6) yes . . .
C(203) C(204) C(205) 123.6(7) yes . . .
C(204) C(205) C(206) 118.5(8) yes . . .
C(205) C(206) C(207) 121.6(8) yes . . .
C(206) C(207) C(208) 117.8(8) yes . . .
Cl(202) C(208) C(203) 120.1(6) yes . . .
Cl(202) C(208) C(207) 117.5(6) yes . . .
C(203) C(208) C(207) 122.4(7) yes . . .
N(201) C(209) N(202) 116.8(6) yes . . .
N(201) C(209) N(203) 122.2(6) yes . . .
N(202) C(209) N(203) 121.0(6) yes . . .
C(101) N(101) H(11) 117.6 no . . .
C(109) N(101) H(11) 117.4 no . . .
C(109) N(102) H(12) 120.7 no . . .
C(109) N(102) H(13) 120.2 no . . .
H(12) N(102) H(13) 118.8 no . . .
C(109) N(103) H(14) 120.0 no . . .
C(109) N(103) H(15) 120.9 no . . .
H(14) N(103) H(15) 119.1 no . . .
C(201) N(201) H(16) 117.1 no . . .
C(209) N(201) H(16) 116.3 no . . .
C(209) N(202) H(17) 120.4 no . . .
C(209) N(202) H(18) 120.4 no . . .
H(17) N(202) H(18) 119.1 no . . .
C(209) N(203) H(19) 119.5 no . . .
C(209) N(203) H(20) 118.9 no . . .
H(19) N(203) H(20) 121.5 no . . .
C(101) C(102) H(1) 108.6 no . . .
C(101) C(102) H(2) 107.8 no . . .
C(103) C(102) H(1) 108.8 no . . .
C(103) C(102) H(2) 107.6 no . . .
H(1) C(102) H(2) 109.1 no . . .
C(104) C(105) H(3) 121.6 no . . .
C(106) C(105) H(3) 120.2 no . . .
C(105) C(106) H(4) 120.2 no . . .
C(107) C(106) H(4) 118.8 no . . .
C(106) C(107) H(5) 120.8 no . . .
C(108) C(107) H(5) 120.1 no . . .
C(201) C(202) H(6) 109.0 no . . .
C(201) C(202) H(7) 108.6 no . . .
C(203) C(202) H(6) 109.0 no . . .
C(203) C(202) H(7) 108.7 no . . .
H(6) C(202) H(7) 109.6 no . . .
C(204) C(205) H(8) 120.6 no . . .
C(206) C(205) H(8) 120.8 no . . .
C(205) C(206) H(9) 118.9 no . . .
C(207) C(206) H(9) 119.5 no . . .
C(206) C(207) H(10) 121.2 no . . .
C(208) C(207) H(10) 121.0 no . . .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C(101) N(101) C(109) N(102) -175.3(7) ? . . . .
C(101) N(101) C(109) N(103) 5.2(12) ? . . . .
C(109) N(101) C(101) O(101) -4.4(13) ? . . . .
C(109) N(101) C(101) C(102) 172.5(7) ? . . . .
C(201) N(201) C(209) N(202) -176.4(7) ? . . . .
C(201) N(201) C(209) N(203) 4.8(12) ? . . . .
C(209) N(201) C(201) O(201) 0.9(12) ? . . . .
C(209) N(201) C(201) C(202) -177.8(6) ? . . . .
O(101) C(101) C(102) C(103) -18.6(12) ? . . . .
N(101) C(101) C(102) C(103) 164.6(6) ? . . . .
C(101) C(102) C(103) C(104) 105.0(8) ? . . . .
C(101) C(102) C(103) C(108) -76.3(9) ? . . . .
C(102) C(103) C(104) Cl(101) -4.9(10) ? . . . .
C(102) C(103) C(104) C(105) 177.7(7) ? . . . .
C(102) C(103) C(108) Cl(102) 4.8(10) ? . . . .
C(102) C(103) C(108) C(107) -176.3(7) ? . . . .
C(104) C(103) C(108) Cl(102) -176.4(6) ? . . . .
C(104) C(103) C(108) C(107) 2.5(11) ? . . . .
C(108) C(103) C(104) Cl(101) 176.5(6) ? . . . .
C(108) C(103) C(104) C(105) -1.0(11) ? . . . .
Cl(101) C(104) C(105) C(106) -178.9(6) ? . . . .
C(103) C(104) C(105) C(106) -1.3(12) ? . . . .
C(104) C(105) C(106) C(107) 2.4(13) ? . . . .
C(105) C(106) C(107) C(108) -1.0(13) ? . . . .
C(106) C(107) C(108) Cl(102) 177.4(6) ? . . . .
C(106) C(107) C(108) C(103) -1.5(12) ? . . . .
O(201) C(201) C(202) C(203) 40.7(10) ? . . . .
N(201) C(201) C(202) C(203) -140.6(6) ? . . . .
C(201) C(202) C(203) C(204) -95.4(8) ? . . . .
C(201) C(202) C(203) C(208) 85.0(8) ? . . . .
C(202) C(203) C(204) Cl(201) 0.3(9) ? . . . .
C(202) C(203) C(204) C(205) -179.8(6) ? . . . .
C(202) C(203) C(208) Cl(202) -2.2(10) ? . . . .
C(202) C(203) C(208) C(207) 178.5(7) ? . . . .
C(204) C(203) C(208) Cl(202) 178.2(5) ? . . . .
C(204) C(203) C(208) C(207) -1.2(11) ? . . . .
C(208) C(203) C(204) Cl(201) 179.9(4) ? . . . .
C(208) C(203) C(204) C(205) -0.2(9) ? . . . .
Cl(201) C(204) C(205) C(206) -179.6(6) ? . . . .
C(203) C(204) C(205) C(206) 0.5(12) ? . . . .
C(204) C(205) C(206) C(207) 0.5(12) ? . . . .
C(205) C(206) C(207) C(208) -1.8(13) ? . . . .
C(206) C(207) C(208) Cl(202) -177.2(6) ? . . . .
C(206) C(207) C(208) C(203) 2.2(12) ? . . . .


loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N(103) H(14) O(101) . . . 2.698(7) 0.958 2.031 125.1 no
N(103) H(15) O(201) . . 1_545 3.238(8) 0.951 2.883 103.4 no
N(203) H(19) O(201) . . . 2.715(7) 0.942 2.045 126.7 no

#==============================================================================

# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================

#     End of CIF

#==============================================================================

