#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:12:28 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179050 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/12/4301217.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4301217
loop_
_publ_author_name
'Fei-Yan Yi'
'Na Zhao'
'Wei Wu'
'Jiang-Gao Mao'
_publ_section_title
;
Syntheses and Crystal Structures of Novel Manganese(II) or Cadmium(II)
Arsonates with Dinuclear Clusters or 1D Arrays
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              628
_journal_page_last               637
_journal_paper_doi               10.1021/ic8016535
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C30 H23 As Cl Mn N5 O11'
_chemical_formula_weight         794.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.872(5)
_cell_angle_beta                 92.578(6)
_cell_angle_gamma                102.305(6)
_cell_formula_units_Z            2
_cell_length_a                   9.793(6)
_cell_length_b                   12.988(8)
_cell_length_c                   13.758(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1546.5(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       'narrow frame method'
_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  0.0428
_diffrn_reflns_av_sigmaI/netI    0.0880
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11903
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        <1.0%
_exptl_absorpt_coefficient_mu    1.647
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       brick
_exptl_crystal_F_000             802
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.794
_refine_diff_density_min         -0.541
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         6967
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.1004
_refine_ls_R_factor_gt           0.0590
_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)+(0.0520P)²+1.5690P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1185
_refine_ls_wR_factor_ref         0.1435
_reflns_number_gt                4479
_reflns_number_total             6967
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8016535_si_002_4.cif
_cod_data_source_block           c4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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 
;
_cod_database_code               4301217
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Mn1 Mn -0.45817(7) 0.61249(6) 0.39398(5) 0.02780(18) Uani 1 1 d . . .
As1 As -0.70733(5) 0.56493(4) 0.55853(4) 0.03104(15) Uani 1 1 d . . .
N1 N -0.3576(4) 0.8041(3) 0.4499(3) 0.0343(9) Uani 1 1 d . . .
N2 N -0.6155(4) 0.6894(3) 0.3312(3) 0.0334(9) Uani 1 1 d . . .
N3 N -0.5726(4) 0.4325(3) 0.2649(3) 0.0338(9) Uani 1 1 d . . .
N4 N -0.3616(4) 0.5856(4) 0.2349(3) 0.0338(9) Uani 1 1 d . . .
C1 C -0.2288(6) 1.0306(5) 0.4818(4) 0.0504(14) Uani 1 1 d . . .
H1A H -0.1838 1.1054 0.4915 0.060 Uiso 1 1 calc R . .
C2 C -0.3587(5) 0.9730(4) 0.4166(4) 0.0383(11) Uani 1 1 d . . .
C3 C -0.4353(7) 1.0256(5) 0.3663(5) 0.0580(16) Uani 1 1 d . . .
H3A H -0.3943 1.1007 0.3747 0.070 Uiso 1 1 calc R . .
C4 C -0.5620(7) 0.9713(5) 0.3085(5) 0.0535(15) Uani 1 1 d . . .
H4A H -0.6067 1.0080 0.2759 0.064 Uiso 1 1 calc R . .
C5 C -0.6314(5) 0.8556(5) 0.2957(4) 0.0407(12) Uani 1 1 d . . .
C6 C -0.7690(6) 0.7962(5) 0.2438(4) 0.0513(15) Uani 1 1 d . . .
H6A H -0.8214 0.8306 0.2135 0.062 Uiso 1 1 calc R . .
C7 C -0.8274(6) 0.6874(6) 0.2372(5) 0.0530(15) Uani 1 1 d . . .
H7A H -0.9196 0.6479 0.2038 0.064 Uiso 1 1 calc R . .
C8 C -0.7458(5) 0.6376(5) 0.2813(4) 0.0453(13) Uani 1 1 d . . .
H8A H -0.7855 0.5632 0.2754 0.054 Uiso 1 1 calc R . .
C9 C -0.5602(5) 0.7981(4) 0.3410(4) 0.0332(11) Uani 1 1 d . . .
C10 C -0.4201(5) 0.8598(4) 0.4038(4) 0.0321(10) Uani 1 1 d . . .
C11 C -0.2349(5) 0.8632(4) 0.5136(4) 0.0409(12) Uani 1 1 d . . .
H11A H -0.1918 0.8270 0.5477 0.049 Uiso 1 1 calc R . .
C12 C -0.1681(6) 0.9760(5) 0.5317(4) 0.0481(13) Uani 1 1 d . . .
H12A H -0.0826 1.0141 0.5773 0.058 Uiso 1 1 calc R . .
C13 C -0.7103(6) 0.2208(5) 0.0978(5) 0.0557(15) Uani 1 1 d . . .
H13A H -0.7578 0.1500 0.0420 0.067 Uiso 1 1 calc R . .
C14 C -0.6000(6) 0.2953(4) 0.0786(4) 0.0437(13) Uani 1 1 d . . .
C15 C -0.5504(7) 0.2675(6) -0.0221(4) 0.0583(16) Uani 1 1 d . . .
H15A H -0.5941 0.1970 -0.0798 0.070 Uiso 1 1 calc R . .
C16 C -0.4419(7) 0.3406(6) -0.0359(4) 0.0595(17) Uani 1 1 d . . .
H16A H -0.4111 0.3191 -0.1026 0.071 Uiso 1 1 calc R . .
C17 C -0.3730(5) 0.4497(5) 0.0489(4) 0.0403(12) Uani 1 1 d . . .
C18 C -0.2631(6) 0.5293(6) 0.0375(5) 0.0552(16) Uani 1 1 d . . .
H18A H -0.2300 0.5115 -0.0282 0.066 Uiso 1 1 calc R . .
C19 C -0.2028(6) 0.6344(6) 0.1229(5) 0.0503(14) Uani 1 1 d . . .
H19A H -0.1288 0.6882 0.1162 0.060 Uiso 1 1 calc R . .
C20 C -0.2555(5) 0.6583(5) 0.2197(4) 0.0435(13) Uani 1 1 d . . .
H20A H -0.2140 0.7293 0.2775 0.052 Uiso 1 1 calc R . .
C21 C -0.4206(5) 0.4823(4) 0.1499(4) 0.0323(10) Uani 1 1 d . . .
C22 C -0.5336(5) 0.4017(4) 0.1657(4) 0.0325(10) Uani 1 1 d . . .
C23 C -0.6753(5) 0.3576(5) 0.2785(4) 0.0460(13) Uani 1 1 d . . .
H23A H -0.7006 0.3774 0.3469 0.055 Uiso 1 1 calc R . .
C24 C -0.7481(6) 0.2511(5) 0.1971(5) 0.0591(16) Uani 1 1 d . . .
H24A H -0.8209 0.2018 0.2106 0.071 Uiso 1 1 calc R . .
C25 C -0.7215(3) 0.6721(2) 0.70030(18) 0.0334(11) Uani 1 1 d G . .
C26 C -0.8316(3) 0.6464(2) 0.7537(2) 0.0394(12) Uani 1 1 d G . .
H26A H -0.9021 0.5775 0.7196 0.047 Uiso 1 1 calc R . .
C27 C -0.8364(3) 0.7236(3) 0.8581(2) 0.0365(11) Uani 1 1 d G . .
C28 C -0.7311(3) 0.8266(2) 0.90913(18) 0.0379(11) Uani 1 1 d G . .
C29 C -0.6210(3) 0.8523(2) 0.8557(2) 0.0461(13) Uani 1 1 d G . .
H29A H -0.5505 0.9212 0.8898 0.055 Uiso 1 1 calc R . .
C30 C -0.6162(3) 0.7751(3) 0.7513(2) 0.0408(12) Uani 1 1 d G . .
H30A H -0.5425 0.7923 0.7155 0.049 Uiso 1 1 calc R . .
N5 N -0.9458(5) 0.6903(5) 0.9125(4) 0.0567(13) Uani 1 1 d . . .
O4 O -1.0278(5) 0.5948(4) 0.8677(4) 0.0889(17) Uani 1 1 d . . .
O5 O -0.9549(5) 0.7598(4) 1.0029(3) 0.0840(15) Uani 1 1 d . . .
O6 O -0.7256(4) 0.9094(3) 1.0103(3) 0.0581(10) Uani 1 1 d . . .
H6B H -0.7952 0.8900 1.0359 0.087 Uiso 1 1 calc R . .
O1 O -0.5619(3) 0.6223(3) 0.5247(3) 0.0417(8) Uani 1 1 d . . .
O2 O -0.7194(3) 0.4331(3) 0.5528(2) 0.0345(7) Uani 1 1 d . . .
O3 O -0.8505(3) 0.5429(3) 0.4692(3) 0.0463(9) Uani 1 1 d . . .
H3B H -0.8911 0.5946 0.4958 0.069 Uiso 1 1 calc R . .
Cl1 Cl -0.95124(16) 0.99304(13) 0.78726(12) 0.0559(4) Uani 1 1 d . . .
O11 O -0.8884(9) 1.0838(6) 0.7663(7) 0.189(4) Uani 1 1 d . . .
O12 O -0.9627(6) 0.8844(5) 0.7022(4) 0.114(2) Uani 1 1 d . . .
O13 O -1.0908(6) 1.0048(6) 0.7980(6) 0.128(2) Uani 1 1 d . . .
O14 O -0.8986(10) 0.9921(7) 0.8775(5) 0.203(5) Uani 1 1 d . . .
O1W O -0.9967(4) 0.6986(3) 0.5017(4) 0.0642(12) Uani 1 1 d . . .
H1WA H -0.9783 0.7505 0.5648 0.096 Uiso 1 1 d R . .
H1WB H -1.0781 0.6581 0.4925 0.096 Uiso 1 1 d R . .
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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Mn1 O2 95.36(13) . 2_466 ?
O1 Mn1 N1 98.37(14) . . ?
O2 Mn1 N1 97.62(13) 2_466 . ?
O1 Mn1 N3 102.49(14) . . ?
O2 Mn1 N3 98.18(13) 2_466 . ?
N1 Mn1 N3 152.42(14) . . ?
O1 Mn1 N2 92.37(13) . . ?
O2 Mn1 N2 168.36(13) 2_466 . ?
N1 Mn1 N2 72.59(14) . . ?
N3 Mn1 N2 88.59(14) . . ?
O1 Mn1 N4 173.97(14) . . ?
O2 Mn1 N4 87.53(13) 2_466 . ?
N1 Mn1 N4 86.46(14) . . ?
N3 Mn1 N4 71.81(14) . . ?
N2 Mn1 N4 85.60(13) . . ?
O1 As1 O2 115.35(16) . . ?
O1 As1 O3 109.97(17) . . ?
O2 As1 O3 102.96(17) . . ?
O1 As1 C25 107.08(16) . . ?
O2 As1 C25 110.81(14) . . ?
O3 As1 C25 110.67(15) . . ?
C11 N1 C10 117.2(4) . . ?
C11 N1 Mn1 126.1(3) . . ?
C10 N1 Mn1 116.2(3) . . ?
C8 N2 C9 117.4(4) . . ?
C8 N2 Mn1 128.2(3) . . ?
C9 N2 Mn1 114.2(3) . . ?
C23 N3 C22 117.6(4) . . ?
C23 N3 Mn1 125.3(3) . . ?
C22 N3 Mn1 117.1(3) . . ?
C20 N4 C21 117.2(4) . . ?
C20 N4 Mn1 127.8(3) . . ?
C21 N4 Mn1 115.0(3) . . ?
C12 C1 C2 119.2(5) . . ?
C12 C1 H1A 120.4 . . ?
C2 C1 H1A 120.4 . . ?
C1 C2 C10 117.8(5) . . ?
C1 C2 C3 123.5(5) . . ?
C10 C2 C3 118.7(5) . . ?
C4 C3 C2 122.6(5) . . ?
C4 C3 H3A 118.7 . . ?
C2 C3 H3A 118.7 . . ?
C3 C4 C5 120.6(5) . . ?
C3 C4 H4A 119.7 . . ?
C5 C4 H4A 119.7 . . ?
C6 C5 C9 116.2(5) . . ?
C6 C5 C4 124.2(5) . . ?
C9 C5 C4 119.5(5) . . ?
C7 C6 C5 120.3(5) . . ?
C7 C6 H6A 119.9 . . ?
C5 C6 H6A 119.9 . . ?
C6 C7 C8 118.5(5) . . ?
C6 C7 H7A 120.7 . . ?
C8 C7 H7A 120.7 . . ?
N2 C8 C7 123.9(5) . . ?
N2 C8 H8A 118.0 . . ?
C7 C8 H8A 118.0 . . ?
N2 C9 C5 123.5(5) . . ?
N2 C9 C10 117.8(4) . . ?
C5 C9 C10 118.7(4) . . ?
N1 C10 C2 123.0(5) . . ?
N1 C10 C9 117.1(4) . . ?
C2 C10 C9 119.9(4) . . ?
N1 C11 C12 123.3(5) . . ?
N1 C11 H11A 118.3 . . ?
C12 C11 H11A 118.3 . . ?
C1 C12 C11 119.4(5) . . ?
C1 C12 H12A 120.3 . . ?
C11 C12 H12A 120.3 . . ?
C24 C13 C14 120.4(5) . . ?
C24 C13 H13A 119.8 . . ?
C14 C13 H13A 119.8 . . ?
C13 C14 C22 117.2(5) . . ?
C13 C14 C15 123.6(5) . . ?
C22 C14 C15 119.2(5) . . ?
C16 C15 C14 121.4(6) . . ?
C16 C15 H15A 119.3 . . ?
C14 C15 H15A 119.3 . . ?
C15 C16 C17 121.6(5) . . ?
C15 C16 H16A 119.2 . . ?
C17 C16 H16A 119.2 . . ?
C18 C17 C21 117.4(5) . . ?
C18 C17 C16 123.5(5) . . ?
C21 C17 C16 119.1(5) . . ?
C19 C18 C17 120.3(5) . . ?
C19 C18 H18A 119.9 . . ?
C17 C18 H18A 119.9 . . ?
C18 C19 C20 118.3(5) . . ?
C18 C19 H19A 120.9 . . ?
C20 C19 H19A 120.9 . . ?
N4 C20 C19 124.0(5) . . ?
N4 C20 H20A 118.0 . . ?
C19 C20 H20A 118.0 . . ?
N4 C21 C17 122.8(5) . . ?
N4 C21 C22 117.9(4) . . ?
C17 C21 C22 119.3(5) . . ?
N3 C22 C14 122.4(5) . . ?
N3 C22 C21 118.2(4) . . ?
C14 C22 C21 119.4(4) . . ?
N3 C23 C24 124.2(5) . . ?
N3 C23 H23A 117.9 . . ?
C24 C23 H23A 117.9 . . ?
C13 C24 C23 118.3(5) . . ?
C13 C24 H24A 120.9 . . ?
C23 C24 H24A 120.9 . . ?
C26 C25 C30 120.0 . . ?
C26 C25 As1 121.14(17) . . ?
C30 C25 As1 118.82(17) . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C25 C26 H26A 120.0 . . ?
C26 C27 C28 120.0 . . ?
C26 C27 N5 118.1(3) . . ?
C28 C27 N5 121.8(3) . . ?
O6 C28 C29 114.7(3) . . ?
O6 C28 C27 125.3(3) . . ?
C29 C28 C27 120.0 . . ?
C28 C29 C30 120.0 . . ?
C28 C29 H29A 120.0 . . ?
C30 C29 H29A 120.0 . . ?
C29 C30 C25 120.0 . . ?
C29 C30 H30A 120.0 . . ?
C25 C30 H30A 120.0 . . ?
O4 N5 O5 122.1(5) . . ?
O4 N5 C27 119.2(5) . . ?
O5 N5 C27 118.7(5) . . ?
C28 O6 H6B 109.5 . . ?
As1 O1 Mn1 143.0(2) . . ?
As1 O2 Mn1 121.74(17) . 2_466 ?
As1 O3 H3B 109.5 . . ?
O14 Cl1 O11 116.5(6) . . ?
O14 Cl1 O12 108.9(4) . . ?
O11 Cl1 O12 113.6(5) . . ?
O14 Cl1 O13 106.9(6) . . ?
O11 Cl1 O13 103.7(5) . . ?
O12 Cl1 O13 106.3(4) . . ?
H1WA O1W H1WB 108.6 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn1 O1 2.077(3) . ?
Mn1 O2 2.141(3) 2_466 ?
Mn1 N1 2.257(4) . ?
Mn1 N3 2.284(4) . ?
Mn1 N2 2.314(4) . ?
Mn1 N4 2.348(4) . ?
As1 O1 1.640(3) . ?
As1 O2 1.660(3) . ?
As1 O3 1.717(3) . ?
As1 C25 1.916(2) . ?
N1 C11 1.330(6) . ?
N1 C10 1.352(5) . ?
N2 C8 1.317(6) . ?
N2 C9 1.348(6) . ?
N3 C23 1.319(6) . ?
N3 C22 1.355(6) . ?
N4 C20 1.333(6) . ?
N4 C21 1.357(6) . ?
C1 C12 1.365(7) . ?
C1 C2 1.389(7) . ?
C1 H1A 0.9300 . ?
C2 C10 1.399(6) . ?
C2 C3 1.436(7) . ?
C3 C4 1.324(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.447(8) . ?
C4 H4A 0.9300 . ?
C5 C6 1.395(8) . ?
C5 C9 1.410(6) . ?
C6 C7 1.371(8) . ?
C6 H6A 0.9300 . ?
C7 C8 1.385(7) . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9300 . ?
C9 C10 1.461(7) . ?
C11 C12 1.384(7) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 C24 1.353(8) . ?
C13 C14 1.400(8) . ?
C13 H13A 0.9300 . ?
C14 C22 1.406(7) . ?
C14 C15 1.421(8) . ?
C15 C16 1.341(9) . ?
C15 H15A 0.9300 . ?
C16 C17 1.417(8) . ?
C16 H16A 0.9300 . ?
C17 C18 1.387(8) . ?
C17 C21 1.413(6) . ?
C18 C19 1.375(8) . ?
C18 H18A 0.9300 . ?
C19 C20 1.390(7) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C22 1.443(7) . ?
C23 C24 1.389(8) . ?
C23 H23A 0.9300 . ?
C24 H24A 0.9300 . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 C27 1.3900 . ?
C26 H26A 0.9300 . ?
C27 C28 1.3900 . ?
C27 N5 1.425(5) . ?
C28 O6 1.361(4) . ?
C28 C29 1.3900 . ?
C29 C30 1.3900 . ?
C29 H29A 0.9300 . ?
C30 H30A 0.9300 . ?
N5 O4 1.214(6) . ?
N5 O5 1.228(6) . ?
O6 H6B 0.8200 . ?
O2 Mn1 2.141(3) 2_466 ?
O3 H3B 0.8200 . ?
Cl1 O14 1.329(6) . ?
Cl1 O11 1.354(6) . ?
Cl1 O12 1.399(5) . ?
Cl1 O13 1.415(6) . ?
O1W H1WA 0.8376 . ?
O1W H1WB 0.8283 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O6 H6B O5 0.82 1.92 2.605(6) 140.0 .
O3 H3B O1W 0.82 1.85 2.628(5) 158.3 .
O1W H1WA O12 0.84 1.96 2.781(7) 168.5 .
O1W H1WB O2 0.83 2.00 2.823(5) 169.4 2_366
