#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/62/2206275.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2206275
loop_
_publ_author_name
'Fang-Fang Jian'
'Ke-Fei Wang'
'Hai-Lian Xiao'
'Yuan-Biao Qiao'
_publ_section_title
;
 A dinuclear chloro(triphenylphosphito)copper(I) complex,
 di-μ₂-chloro-bis[bis(triphenylphosphito)copper(I)]
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1324
_journal_page_last               m1325
_journal_paper_doi               10.1107/S1600536805018325
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Cu2 Cl2 (C18 H15 O3 P)4]'
_chemical_formula_moiety         'C72 H60 Cl2 Cu2 O12 P4'
_chemical_formula_sum            'C72 H60 Cl2 Cu2 O12 P4'
_chemical_formula_weight         1439.06
_chemical_name_systematic
;
di-μ₂-chloro-bis[bis(triphenylphosphito)copper(I)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.46(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.455(6)
_cell_length_b                   13.737(3)
_cell_length_c                   19.396(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      4
_cell_volume                     6845(3)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1989)'
_computing_data_reduction        'NRCVAX (Gabe et al., 1989)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1990)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_sigmaI/netI    0.0739
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14736
_diffrn_reflns_theta_full        26.97
_diffrn_reflns_theta_max         26.97
_diffrn_reflns_theta_min         1.59
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.854
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.111
_refine_diff_density_min         -0.606
_refine_ls_extinction_coef       0.00067(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         7383
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0930
_refine_ls_R_factor_gt           0.0519
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0719P)²+0.8853P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1238
_refine_ls_wR_factor_ref         0.1459
_reflns_number_gt                4751
_reflns_number_total             7383
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            rz6092.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     '-c 2yc'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2206275
_cod_database_fobs_code          2206275
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
Cu1 0.033959(14) 0.40213(3) 0.02275(2) 0.04495(14) Uani d . 1 Cu
Cl1 0.02051(3) 0.52106(6) -0.07159(5) 0.0497(2) Uani d . 1 Cl
P1 0.11996(3) 0.38329(6) 0.08638(4) 0.0413(2) Uani d . 1 P
P2 -0.01061(3) 0.26602(6) -0.02949(5) 0.0467(2) Uani d . 1 P
O1 0.15219(8) 0.42129(17) 0.04144(12) 0.0486(5) Uani d . 1 O
O2 0.13247(8) 0.26903(17) 0.09156(14) 0.0553(6) Uani d . 1 O
O3 0.15809(8) 0.42532(19) 0.16930(12) 0.0517(6) Uani d . 1 O
O4 0.00690(10) 0.16445(18) 0.01680(15) 0.0609(6) Uani d . 1 O
O5 -0.07057(8) 0.27603(17) -0.04611(14) 0.0549(6) Uani d . 1 O
O6 -0.01843(9) 0.2270(2) -0.11153(14) 0.0626(7) Uani d . 1 O
C1 0.19000(11) 0.4949(2) 0.06324(17) 0.0426(7) Uani d . 1 C
C2 0.17575(14) 0.5901(3) 0.0552(2) 0.0567(9) Uani d . 1 C
H2A 0.1410 0.6075 0.0387 0.068 Uiso calc R 1 H
C3 0.21374(17) 0.6610(3) 0.0721(2) 0.0725(11) Uani d . 1 C
H3A 0.2043 0.7264 0.0668 0.087 Uiso calc R 1 H
C4 0.26454(18) 0.6361(4) 0.0963(3) 0.0783(12) Uani d . 1 C
H4A 0.2899 0.6839 0.1073 0.094 Uiso calc R 1 H
C5 0.27794(16) 0.5402(4) 0.1044(3) 0.0896(15) Uani d . 1 C
H5A 0.3127 0.5232 0.1211 0.107 Uiso calc R 1 H
C6 0.24110(13) 0.4676(3) 0.0884(2) 0.0677(11) Uani d . 1 C
H6A 0.2506 0.4023 0.0944 0.081 Uiso calc R 1 H
C7 0.18215(12) 0.2279(2) 0.1148(2) 0.0474(8) Uani d . 1 C
C8 0.20983(14) 0.2022(3) 0.1894(2) 0.0608(9) Uani d . 1 C
H8A 0.1965 0.2136 0.2248 0.073 Uiso calc R 1 H
C9 0.25827(16) 0.1589(3) 0.2117(3) 0.0723(11) Uani d . 1 C
H9A 0.2773 0.1406 0.2624 0.087 Uiso calc R 1 H
C10 0.27780(15) 0.1434(3) 0.1610(3) 0.0728(12) Uani d . 1 C
H10A 0.3107 0.1162 0.1769 0.087 Uiso calc R 1 H
C11 0.24989(17) 0.1672(3) 0.0866(3) 0.0727(11) Uani d . 1 C
H11A 0.2635 0.1547 0.0516 0.087 Uiso calc R 1 H
C12 0.20087(15) 0.2104(3) 0.0618(2) 0.0613(9) Uani d . 1 C
H12A 0.1815 0.2267 0.0107 0.074 Uiso calc R 1 H
C13 0.14326(12) 0.4340(3) 0.22902(19) 0.0482(8) Uani d . 1 C
C14 0.17537(15) 0.3927(3) 0.2980(2) 0.0610(9) Uani d . 1 C
H14A 0.2048 0.3580 0.3034 0.073 Uiso calc R 1 H
C15 0.1631(2) 0.4037(4) 0.3589(3) 0.0804(13) Uani d . 1 C
H15A 0.1851 0.3779 0.4062 0.097 Uiso calc R 1 H
C16 0.1196(2) 0.4514(4) 0.3511(3) 0.0926(16) Uani d . 1 C
H16A 0.1111 0.4565 0.3922 0.111 Uiso calc R 1 H
C17 0.08808(17) 0.4923(5) 0.2821(3) 0.0980(19) Uani d . 1 C
H17A 0.0580 0.5249 0.2766 0.118 Uiso calc R 1 H
C18 0.10018(15) 0.4859(3) 0.2205(2) 0.0745(12) Uani d . 1 C
H18A 0.0795 0.5162 0.1744 0.089 Uiso calc R 1 H
C19 0.03286(13) 0.1600(3) 0.0960(2) 0.0555(9) Uani d . 1 C
C20 0.06839(18) 0.0865(3) 0.1271(3) 0.0795(13) Uani d . 1 C
H20A 0.0741 0.0415 0.0957 0.095 Uiso calc R 1 H
C21 0.0952(2) 0.0800(5) 0.2046(4) 0.1067(19) Uani d . 1 C
H21A 0.1186 0.0291 0.2258 0.128 Uiso calc R 1 H
C22 0.0883(2) 0.1469(5) 0.2515(3) 0.0952(16) Uani d . 1 C
H22A 0.1074 0.1426 0.3041 0.114 Uiso calc R 1 H
C23 0.05312(18) 0.2200(4) 0.2201(3) 0.0791(12) Uani d . 1 C
H23A 0.0482 0.2655 0.2519 0.095 Uiso calc R 1 H
C24 0.02479(15) 0.2276(3) 0.1423(2) 0.0636(10) Uani d . 1 C
H24A 0.0006 0.2774 0.1214 0.076 Uiso calc R 1 H
C25 -0.10675(13) 0.1992(3) -0.0720(2) 0.0599(10) Uani d . 1 C
C26 -0.13707(15) 0.1912(4) -0.1479(3) 0.0778(12) Uani d . 1 C
H26A -0.1326 0.2323 -0.1828 0.093 Uiso calc R 1 H
C27 -0.17550(19) 0.1184(5) -0.1720(4) 0.110(2) Uani d . 1 C
H27A -0.1970 0.1102 -0.2237 0.132 Uiso calc R 1 H
C28 -0.1811(2) 0.0604(5) -0.1199(6) 0.127(3) Uani d . 1 C
H28A -0.2071 0.0133 -0.1363 0.152 Uiso calc R 1 H
C29 -0.1502(3) 0.0690(5) -0.0454(5) 0.127(3) Uani d . 1 C
H29A -0.1544 0.0274 -0.0106 0.152 Uiso calc R 1 H
C30 -0.11211(18) 0.1396(4) -0.0199(3) 0.0918(15) Uani d . 1 C
H30A -0.0905 0.1463 0.0319 0.110 Uiso calc R 1 H
C31 0.02399(14) 0.2040(3) -0.1267(2) 0.0588(9) Uani d . 1 C
C32 0.0342(3) 0.1092(4) -0.1327(4) 0.113(2) Uani d . 1 C
H32A 0.0147 0.0607 -0.1236 0.136 Uiso calc R 1 H
C33 0.0739(3) 0.0852(5) -0.1524(5) 0.148(3) Uani d . 1 C
H33A 0.0810 0.0203 -0.1577 0.178 Uiso calc R 1 H
C34 0.1029(2) 0.1571(5) -0.1641(3) 0.1078(19) Uani d . 1 C
H34A 0.1298 0.1411 -0.1774 0.129 Uiso calc R 1 H
C35 0.0927(2) 0.2498(5) -0.1566(3) 0.1026(17) Uani d . 1 C
H35A 0.1129 0.2983 -0.1638 0.123 Uiso calc R 1 H
C36 0.05253(17) 0.2752(3) -0.1382(3) 0.0802(13) Uani d . 1 C
H36A 0.0452 0.3403 -0.1339 0.096 Uiso calc R 1 H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 Cu1 P2 . 115.21(4) yes
P1 Cu1 Cl1 . 106.44(4) yes
P2 Cu1 Cl1 . 110.82(4) yes
P1 Cu1 Cl1 5_565 125.28(4) yes
P2 Cu1 Cl1 5_565 102.17(3) yes
Cl1 Cu1 Cl1 5_565 94.90(3) yes
Cu1 Cl1 Cu1 5_565 85.10(3) yes
O1 P1 O2 . 100.94(12) ?
O1 P1 O3 . 97.42(11) ?
O2 P1 O3 . 104.61(14) ?
O1 P1 Cu1 . 114.20(9) ?
O2 P1 Cu1 . 108.02(9) ?
O3 P1 Cu1 . 128.17(9) ?
O5 P2 O6 . 98.51(13) ?
O5 P2 O4 . 103.49(13) ?
O6 P2 O4 . 98.11(14) ?
O5 P2 Cu1 . 111.49(9) ?
O6 P2 Cu1 . 122.55(11) ?
O4 P2 Cu1 . 119.28(10) ?
C1 O1 P1 . 128.02(19) ?
C7 O2 P1 . 125.4(2) ?
C13 O3 P1 . 122.96(19) ?
C19 O4 P2 . 122.8(2) ?
C25 O5 P2 . 124.1(2) ?
C31 O6 P2 . 121.4(2) ?
C2 C1 C6 . 121.5(3) ?
C2 C1 O1 . 120.5(3) ?
C6 C1 O1 . 118.0(3) ?
C1 C2 C3 . 119.0(3) ?
C1 C2 H2A . 120.5 ?
C3 C2 H2A . 120.5 ?
C4 C3 C2 . 120.7(4) ?
C4 C3 H3A . 119.6 ?
C2 C3 H3A . 119.6 ?
C3 C4 C5 . 119.2(4) ?
C3 C4 H4A . 120.4 ?
C5 C4 H4A . 120.4 ?
C4 C5 C6 . 121.6(4) ?
C4 C5 H5A . 119.2 ?
C6 C5 H5A . 119.2 ?
C1 C6 C5 . 118.0(4) ?
C1 C6 H6A . 121.0 ?
C5 C6 H6A . 121.0 ?
C8 C7 C12 . 121.2(3) ?
C8 C7 O2 . 119.2(3) ?
C12 C7 O2 . 119.5(3) ?
C7 C8 C9 . 119.0(4) ?
C7 C8 H8A . 120.5 ?
C9 C8 H8A . 120.5 ?
C10 C9 C8 . 120.6(4) ?
C10 C9 H9A . 119.7 ?
C8 C9 H9A . 119.7 ?
C9 C10 C11 . 120.4(4) ?
C9 C10 H10A . 119.8 ?
C11 C10 H10A . 119.8 ?
C10 C11 C12 . 120.7(4) ?
C10 C11 H11A . 119.7 ?
C12 C11 H11A . 119.7 ?
C7 C12 C11 . 118.0(4) ?
C7 C12 H12A . 121.0 ?
C11 C12 H12A . 121.0 ?
C18 C13 C14 . 121.3(3) ?
C18 C13 O3 . 121.3(3) ?
C14 C13 O3 . 117.3(3) ?
C15 C14 C13 . 118.8(4) ?
C15 C14 H14A . 120.6 ?
C13 C14 H14A . 120.6 ?
C16 C15 C14 . 121.0(4) ?
C16 C15 H15A . 119.5 ?
C14 C15 H15A . 119.5 ?
C15 C16 C17 . 119.4(4) ?
C15 C16 H16A . 120.3 ?
C17 C16 H16A . 120.3 ?
C16 C17 C18 . 121.1(4) ?
C16 C17 H17A . 119.4 ?
C18 C17 H17A . 119.4 ?
C13 C18 C17 . 118.2(4) ?
C13 C18 H18A . 120.9 ?
C17 C18 H18A . 120.9 ?
C20 C19 C24 . 120.4(4) ?
C20 C19 O4 . 117.4(4) ?
C24 C19 O4 . 122.2(3) ?
C21 C20 C19 . 119.3(5) ?
C21 C20 H20A . 120.3 ?
C19 C20 H20A . 120.3 ?
C20 C21 C22 . 121.2(5) ?
C20 C21 H21A . 119.4 ?
C22 C21 H21A . 119.4 ?
C23 C22 C21 . 119.2(5) ?
C23 C22 H22A . 120.4 ?
C21 C22 H22A . 120.4 ?
C22 C23 C24 . 121.1(5) ?
C22 C23 H23A . 119.4 ?
C24 C23 H23A . 119.4 ?
C23 C24 C19 . 118.8(4) ?
C23 C24 H24A . 120.6 ?
C19 C24 H24A . 120.6 ?
C26 C25 C30 . 122.5(4) ?
C26 C25 O5 . 118.4(4) ?
C30 C25 O5 . 119.0(4) ?
C25 C26 C27 . 117.4(5) ?
C25 C26 H26A . 121.3 ?
C27 C26 H26A . 121.3 ?
C28 C27 C26 . 119.8(6) ?
C28 C27 H27A . 120.1 ?
C26 C27 H27A . 120.1 ?
C29 C28 C27 . 121.6(6) ?
C29 C28 H28A . 119.2 ?
C27 C28 H28A . 119.2 ?
C28 C29 C30 . 120.0(7) ?
C28 C29 H29A . 120.0 ?
C30 C29 H29A . 120.0 ?
C25 C30 C29 . 118.7(6) ?
C25 C30 H30A . 120.6 ?
C29 C30 H30A . 120.6 ?
C36 C31 C32 . 121.2(4) ?
C36 C31 O6 . 120.5(4) ?
C32 C31 O6 . 118.3(4) ?
C31 C32 C33 . 119.1(5) ?
C31 C32 H32A . 120.5 ?
C33 C32 H32A . 120.5 ?
C34 C33 C32 . 120.0(6) ?
C34 C33 H33A . 120.0 ?
C32 C33 H33A . 120.0 ?
C35 C34 C33 . 119.8(5) ?
C35 C34 H34A . 120.1 ?
C33 C34 H34A . 120.1 ?
C34 C35 C36 . 121.1(5) ?
C34 C35 H35A . 119.5 ?
C36 C35 H35A . 119.5 ?
C31 C36 C35 . 118.9(5) ?
C31 C36 H36A . 120.5 ?
C35 C36 H36A . 120.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 P1 . 2.2321(11) yes
Cu1 P2 . 2.2420(11) yes
Cu1 Cl1 . 2.3584(10) yes
Cu1 Cl1 5_565 2.3822(9) ?
Cl1 Cu1 5_565 2.3822(9) yes
P1 O1 . 1.600(2) ?
P1 O2 . 1.603(2) ?
P1 O3 . 1.612(2) ?
P2 O5 . 1.600(2) ?
P2 O6 . 1.601(3) ?
P2 O4 . 1.618(3) ?
O1 C1 . 1.403(4) ?
O2 C7 . 1.405(4) ?
O3 C13 . 1.398(4) ?
O4 C19 . 1.390(4) ?
O5 C25 . 1.408(4) ?
O6 C31 . 1.396(4) ?
C1 C2 . 1.359(5) ?
C1 C6 . 1.372(4) ?
C2 C3 . 1.385(5) ?
C2 H2A . 0.9300 ?
C3 C4 . 1.358(6) ?
C3 H3A . 0.9300 ?
C4 C5 . 1.361(7) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.382(6) ?
C5 H5A . 0.9300 ?
C6 H6A . 0.9300 ?
C7 C8 . 1.363(5) ?
C7 C12 . 1.367(5) ?
C8 C9 . 1.388(5) ?
C8 H8A . 0.9300 ?
C9 C10 . 1.339(6) ?
C9 H9A . 0.9300 ?
C10 C11 . 1.355(6) ?
C10 H10A . 0.9300 ?
C11 C12 . 1.397(5) ?
C11 H11A . 0.9300 ?
C12 H12A . 0.9300 ?
C13 C18 . 1.365(5) ?
C13 C14 . 1.377(5) ?
C14 C15 . 1.377(5) ?
C14 H14A . 0.9300 ?
C15 C16 . 1.350(7) ?
C15 H15A . 0.9300 ?
C16 C17 . 1.371(7) ?
C16 H16A . 0.9300 ?
C17 C18 . 1.381(6) ?
C17 H17A . 0.9300 ?
C18 H18A . 0.9300 ?
C19 C20 . 1.372(5) ?
C19 C24 . 1.379(5) ?
C20 C21 . 1.364(7) ?
C20 H20A . 0.9300 ?
C21 C22 . 1.365(8) ?
C21 H21A . 0.9300 ?
C22 C23 . 1.362(7) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.376(6) ?
C23 H23A . 0.9300 ?
C24 H24A . 0.9300 ?
C25 C26 . 1.354(6) ?
C25 C30 . 1.359(6) ?
C26 C27 . 1.406(7) ?
C26 H26A . 0.9300 ?
C27 C28 . 1.349(10) ?
C27 H27A . 0.9300 ?
C28 C29 . 1.335(10) ?
C28 H28A . 0.9300 ?
C29 C30 . 1.378(8) ?
C29 H29A . 0.9300 ?
C30 H30A . 0.9300 ?
C31 C36 . 1.350(6) ?
C31 C32 . 1.351(6) ?
C32 C33 . 1.380(8) ?
C32 H32A . 0.9300 ?
C33 C34 . 1.367(9) ?
C33 H33A . 0.9300 ?
C34 C35 . 1.328(8) ?
C34 H34A . 0.9300 ?
C35 C36 . 1.380(6) ?
C35 H35A . 0.9300 ?
C36 H36A . 0.9300 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C18 H18A Cl1 5_565 0.93 2.73 3.408(4) 130
C3 H3A Cg1 5_565 0.93 2.84 3.640(2) 145
C10 H10A Cg2 4_545 0.93 2.80 3.605(2) 146
C28 H28A Cg3 5_555 0.93 2.80 3.605(2) 146
