#------------------------------------------------------------------------------
#$Date: 2020-10-06 13:25:00 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257821 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/92/7059219.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_7059219
loop_
_publ_author_name
'Li, Bai-Ling'
'Wang, Jun-Ku'
'Gao, Jin-Sheng'
'Yu, Ying-Hui'
'Ma, Dong-Sheng'
_publ_section_title
;
 A semi-rigid tricarboxylate ligand based Co(ii) coordination polymer:
 construction and applications in multiple sensing
;
_journal_issue                   9
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3664
_journal_page_last               3671
_journal_paper_doi               10.1039/C9NJ05766H
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C17 H16 Co2 O10, 2(H2 O)'
_chemical_formula_sum            'C17 H20 Co2 O12'
_chemical_formula_weight         534.19
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-01-16 deposited with the CCDC.	2020-01-20 downloaded from the CCDC.
;
_cell_angle_alpha                72.3400(10)
_cell_angle_beta                 84.6560(10)
_cell_angle_gamma                76.0530(10)
_cell_formula_units_Z            2
_cell_length_a                   7.4330(2)
_cell_length_b                   10.9372(2)
_cell_length_c                   14.2039(3)
_cell_measurement_reflns_used    9882
_cell_measurement_temperature    98(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      2.82
_cell_volume                     1067.62(4)
_computing_cell_refinement       'Bruker D8 Venture'
_computing_data_collection       'Bruker D8 Venture'
_computing_data_reduction        'Bruker D8 Venture'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2015)'
_diffrn_ambient_temperature      98(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'D8 VENTURE PHOTON II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            33131
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.383
_diffrn_reflns_theta_min         2.824
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.614
_exptl_absorpt_correction_T_max  0.855
_exptl_absorpt_correction_T_min  0.830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2014'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_description       block
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.771
_refine_diff_density_min         -0.535
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         4380
_refine_ls_number_restraints     37
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0483P)²+1.4806P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1020
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3723
_reflns_number_total             4380
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj05766h2.cif
_cod_data_source_block           mo_1202_343_0m_a
_cod_depositor_comments
;Adding full bibliography for 7059219.cif.

 Adding full bibliography for 7059219.cif.
;
_cod_database_code               7059219
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.830
_shelx_estimated_absorpt_t_max   0.855
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1609(4) 0.4319(3) 0.1613(2) 0.0279(6) Uani 1 1 d . . . . .
H1 H 0.0825 0.4641 0.1058 0.033 Uiso 1 1 calc R U . . .
C2 C 0.2110(4) 0.2972(3) 0.2086(2) 0.0287(6) Uani 1 1 d . . . . .
C3 C 0.3228(5) 0.2514(3) 0.2912(2) 0.0346(7) Uani 1 1 d . . . . .
H3 H 0.3564 0.1594 0.3230 0.042 Uiso 1 1 calc R U . . .
C4 C 0.3864(5) 0.3367(3) 0.3281(2) 0.0389(8) Uani 1 1 d . . . . .
C5 C 0.3361(5) 0.4709(3) 0.2792(2) 0.0397(8) Uani 1 1 d . . . . .
H5 H 0.3775 0.5312 0.3034 0.048 Uiso 1 1 calc R U . . .
C6 C 0.2267(4) 0.5188(3) 0.1959(2) 0.0289(6) Uani 1 1 d . . . . .
C7 C 0.1904(4) 0.6642(3) 0.1438(2) 0.0285(6) Uani 1 1 d . . . . .
C8 C 0.1567(4) 0.1975(3) 0.1705(2) 0.0293(6) Uani 1 1 d . . . . .
C9 C 0.5063(5) 0.2877(3) 0.4161(3) 0.0482(9) Uani 1 1 d . . . . .
C12 C 0.7343(6) 0.1975(4) 0.5790(3) 0.0567(11) Uani 1 1 d . . . . .
C10 C 0.4851(8) 0.1912(5) 0.4939(4) 0.0384(13) Uani 0.639(6) 1 d . . P A 1
H10 H 0.3873 0.1487 0.4949 0.046 Uiso 0.639(6) 1 calc R U P A 1
C11 C 0.5989(8) 0.1475(6) 0.5755(4) 0.0421(14) Uani 0.639(6) 1 d . . P A 1
H11 H 0.5742 0.0778 0.6304 0.050 Uiso 0.639(6) 1 calc R U P A 1
C13 C 0.7826(11) 0.3011(7) 0.4921(6) 0.079(3) Uani 0.639(6) 1 d . . P A 1
H13 H 0.8876 0.3362 0.4923 0.095 Uiso 0.639(6) 1 calc R U P A 1
C14 C 0.6690(11) 0.3453(6) 0.4101(5) 0.071(3) Uani 0.639(6) 1 d . . P A 1
H14 H 0.6955 0.4105 0.3523 0.085 Uiso 0.639(6) 1 calc R U P A 1
C10' C 0.6061(16) 0.1589(9) 0.4442(8) 0.048(3) Uani 0.361(6) 1 d . . P A 2
H10' H 0.6009 0.1041 0.4044 0.058 Uiso 0.361(6) 1 d R U P A 2
C11' C 0.7223(19) 0.1098(11) 0.5244(9) 0.062(4) Uani 0.361(6) 1 d . . P A 2
H11' H 0.7817 0.0191 0.5463 0.075 Uiso 0.361(6) 1 d R U P A 2
C13' C 0.587(2) 0.2998(13) 0.5761(9) 0.075(5) Uani 0.361(6) 1 d . . P A 2
H13' H 0.5651 0.3407 0.6275 0.090 Uiso 0.361(6) 1 d R U P A 2
C14' C 0.475(2) 0.3502(12) 0.4917(9) 0.071(4) Uani 0.361(6) 1 d . . P A 2
H14' H 0.3712 0.4218 0.4888 0.085 Uiso 0.361(6) 1 d R U P A 2
O5 O 0.8449(4) 0.1502(3) 0.66245(19) 0.0590(7) Uani 1 1 d . . . . .
C16 C 1.1373(5) 0.0566(4) 0.7391(3) 0.0421(8) Uani 1 1 d . . . . .
C15 C 1.0383(10) 0.1608(9) 0.6450(5) 0.061(2) Uani 0.628(8) 1 d D . P B 1
H15 H 1.0893 0.1361 0.5840 0.073 Uiso 0.628(8) 1 d R U P B 1
C17 C 1.0789(17) 0.2959(11) 0.6369(9) 0.118(3) Uani 0.628(8) 1 d D U P B 1
H17A H 1.1832 0.3076 0.5901 0.177 Uiso 0.628(8) 1 d R U P B 1
H17B H 1.1125 0.2978 0.7015 0.177 Uiso 0.628(8) 1 d R U P B 1
H17C H 0.9706 0.3672 0.6126 0.177 Uiso 0.628(8) 1 d R U P B 1
C15' C 1.0341(15) 0.0993(11) 0.6430(8) 0.0379(18) Uani 0.372(8) 1 d D U P B 2
H15' H 1.0263 0.0107 0.6398 0.046 Uiso 0.372(8) 1 d R U P B 2
C17' C 1.071(2) 0.0016(15) 0.5852(11) 0.087(3) Uani 0.372(8) 1 d D U P B 2
H17D H 0.9696 0.0512 0.5397 0.131 Uiso 0.372(8) 1 d R U P B 2
H17E H 1.1393 -0.0746 0.5642 0.131 Uiso 0.372(8) 1 d R U P B 2
H17F H 1.1550 0.0584 0.5849 0.131 Uiso 0.372(8) 1 d R U P B 2
Co1 Co 0.08461(5) 0.88046(3) -0.04445(3) 0.02589(12) Uani 1 1 d . . . . .
Co2 Co 0.24159(6) 0.91909(3) 0.16491(3) 0.03072(13) Uani 1 1 d D . . . .
O1 O 0.2742(3) 0.7289(2) 0.17623(19) 0.0442(6) Uani 1 1 d . . . . .
O2 O 0.0829(3) 0.71111(19) 0.07216(16) 0.0370(5) Uani 1 1 d . . . . .
O3 O 0.0157(3) 0.23133(19) 0.11810(16) 0.0342(5) Uani 1 1 d . . . . .
O4 O 0.2626(3) 0.0847(2) 0.19321(19) 0.0443(6) Uani 1 1 d . . . . .
O6 O 1.0459(3) 0.0372(2) 0.81864(15) 0.0331(5) Uani 1 1 d . . . . .
O7 O 1.3065(4) 0.0168(3) 0.7312(2) 0.0632(8) Uani 1 1 d . . . . .
O8 O 0.3655(3) 0.8051(2) -0.08598(18) 0.0438(6) Uani 1 1 d . . . . .
H8A H 0.4468 0.7916 -0.0548 0.066 Uiso 1 1 d R U . . .
H8B H 0.3774 0.8503 -0.1310 0.066 Uiso 1 1 d R U . . .
O9 O 0.1747(3) 1.00113(18) 0.02035(14) 0.0276(4) Uani 1 1 d D . . . .
H9 H 0.2680 1.0376 -0.0182 0.041 Uiso 1 1 d DR U . . .
O10 O 0.5294(3) 0.8878(3) 0.1462(2) 0.0593(8) Uani 1 1 d D . . . .
H10A H 0.5793 0.8154 0.1337 0.089 Uiso 1 1 d DR U . . .
H10B H 0.5827 0.8962 0.1937 0.089 Uiso 1 1 d DR U . . .
O11 O 0.6865(4) 0.7008(3) 0.0571(3) 0.0721(9) Uani 1 1 d D . . . .
H11A H 0.6938 0.6018 0.0796 0.108 Uiso 1 1 d DR U . . .
H11B H 0.8237 0.7034 0.0444 0.108 Uiso 1 1 d DR U . . .
O12 O 0.6958(5) 0.4412(4) 0.1156(4) 0.1227(19) Uani 1 1 d D . . . .
H12A H 0.8177 0.3705 0.1212 0.184 Uiso 1 1 d DR U . . .
H12B H 0.5803 0.3990 0.1171 0.184 Uiso 1 1 d DR U . . .
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'
Co Co 0.3494 0.9721 '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'
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
C6 C1 C2 119.4(2) . .
C6 C1 H1 120.3 . .
C2 C1 H1 120.3 . .
C3 C2 C1 119.8(2) . .
C3 C2 C8 118.1(2) . .
C1 C2 C8 122.1(2) . .
C4 C3 C2 121.6(3) . .
C4 C3 H3 119.2 . .
C2 C3 H3 119.2 . .
C3 C4 C5 117.7(3) . .
C3 C4 C9 121.6(3) . .
C5 C4 C9 120.6(3) . .
C6 C5 C4 121.6(3) . .
C6 C5 H5 119.2 . .
C4 C5 H5 119.2 . .
C5 C6 C1 119.8(2) . .
C5 C6 C7 117.9(2) . .
C1 C6 C7 122.3(2) . .
O1 C7 O2 125.1(3) . .
O1 C7 C6 115.8(2) . .
O2 C7 C6 119.1(2) . .
O3 C8 O4 125.1(3) . .
O3 C8 C2 119.5(2) . .
O4 C8 C2 115.4(2) . .
C10' C9 C14' 114.8(6) . .
C10 C9 C14 118.4(4) . .
C10 C9 C4 124.3(4) . .
C10' C9 C4 120.3(5) . .
C14' C9 C4 121.2(5) . .
C14 C9 C4 117.0(4) . .
C11 C12 O5 120.1(4) . .
C13' C12 O5 117.8(5) . .
C13' C12 C11' 117.2(7) . .
O5 C12 C11' 119.0(5) . .
C11 C12 C13 120.0(4) . .
O5 C12 C13 119.8(4) . .
C9 C10 C11 123.2(5) . .
C9 C10 H10 118.4 . .
C11 C10 H10 118.4 . .
C12 C11 C10 122.1(5) . .
C12 C11 H11 118.9 . .
C10 C11 H11 118.9 . .
C14 C13 C12 118.0(5) . .
C14 C13 H13 121.0 . .
C12 C13 H13 121.0 . .
C13 C14 C9 117.9(5) . .
C13 C14 H14 121.1 . .
C9 C14 H14 121.1 . .
C9 C10' C11' 122.3(9) . .
C9 C10' H10' 118.5 . .
C11' C10' H10' 119.1 . .
C10' C11' C12 117.4(9) . .
C10' C11' H11' 121.2 . .
C12 C11' H11' 121.1 . .
C12 C13' C14' 118.7(9) . .
C12 C13' H13' 120.6 . .
C14' C13' H13' 120.6 . .
C9 C14' C13' 120.3(9) . .
C9 C14' H14' 120.0 . .
C13' C14' H14' 119.4 . .
C12 O5 C15' 114.1(5) . .
C12 O5 C15 115.9(4) . .
O7 C16 O6 125.0(3) . .
O7 C16 C15' 114.6(5) . .
O6 C16 C15' 118.4(5) . .
O7 C16 C15 116.2(4) . .
O6 C16 C15 117.7(4) . .
O5 C15 C17 116.7(8) . .
O5 C15 C16 102.9(5) . .
C17 C15 C16 108.4(7) . .
O5 C15 H15 110.4 . .
C17 C15 H15 108.0 . .
C16 C15 H15 110.3 . .
C15 C17 H17A 107.4 . .
C15 C17 H17B 110.2 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 110.7 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O5 C15' C17' 115.7(10) . .
O5 C15' C16 108.1(7) . .
C17' C15' C16 115.8(10) . .
O5 C15' H15' 99.5 . .
C17' C15' H15' 32.1 . .
C16 C15' H15' 98.7 . .
O5 C15' H17F 148.2 . .
C17' C15' H17F 40.5 . .
C16 C15' H17F 102.9 . .
H15' C15' H17F 68.3 . .
C15' C17' H15' 39.3 . .
C15' C17' H17D 93.5 . .
H15' C17' H17D 103.0 . .
C15' C17' H17E 156.7 . .
H15' C17' H17E 133.3 . .
H17D C17' H17E 109.5 . .
C15' C17' H17F 56.5 . .
H15' C17' H17F 89.5 . .
H17D C17' H17F 109.5 . .
H17E C17' H17F 109.5 . .
O9 Co1 O2 103.17(8) . .
O9 Co1 O9 81.01(8) . 2_575
O2 Co1 O9 100.37(9) . 2_575
O9 Co1 O3 176.16(7) . 2_565
O2 Co1 O3 80.37(8) . 2_565
O9 Co1 O3 96.97(8) 2_575 2_565
O9 Co1 O8 90.32(9) . .
O2 Co1 O8 92.15(9) . .
O9 Co1 O8 166.10(8) 2_575 .
O3 Co1 O8 91.02(9) 2_565 .
O9 Co1 O6 89.75(8) . 1_464
O2 Co1 O6 166.52(8) . 1_464
O9 Co1 O6 77.59(8) 2_575 1_464
O3 Co1 O6 86.62(8) 2_565 1_464
O8 Co1 O6 91.61(9) . 1_464
O1 Co2 O4 160.82(9) . 1_565
O1 Co2 O9 100.38(9) . .
O4 Co2 O9 97.42(9) 1_565 .
O1 Co2 O6 97.28(9) . 2_666
O4 Co2 O6 92.46(9) 1_565 2_666
O9 Co2 O6 81.07(8) . 2_666
O1 Co2 O10 86.28(10) . .
O4 Co2 O10 84.28(10) 1_565 .
O9 Co2 O10 97.84(11) . .
O6 Co2 O10 176.41(9) 2_666 .
C7 O1 Co2 134.74(19) . .
C7 O2 Co1 126.82(19) . .
C8 O3 Co1 128.55(18) . 2_565
C8 O4 Co2 129.85(19) . 1_545
C16 O6 Co2 126.7(2) . 2_666
C16 O6 Co1 132.6(2) . 1_646
Co2 O6 Co1 93.64(9) 2_666 1_646
Co1 O8 H8A 124.2 . .
Co1 O8 H8B 102.7 . .
H8A O8 H8B 109.5 . .
Co2 O9 Co1 115.17(9) . .
Co2 O9 Co1 96.49(9) . 2_575
Co1 O9 Co1 98.99(8) . 2_575
Co2 O9 H9 112.8 . .
Co1 O9 H9 110.8 . .
Co1 O9 H9 121.6 2_575 .
Co2 O10 H10A 113.5 . .
Co2 O10 H10B 113.2 . .
H10A O10 H10B 111.2 . .
H11A O11 H11B 101.4 . .
H12A O12 H12B 110.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.392(4) .
C1 C2 1.393(4) .
C1 H1 0.9500 .
C2 C3 1.393(4) .
C2 C8 1.502(4) .
C3 C4 1.387(4) .
C3 H3 0.9500 .
C4 C5 1.394(4) .
C4 C9 1.488(4) .
C5 C6 1.390(4) .
C5 H5 0.9500 .
C6 C7 1.505(4) .
C7 O1 1.251(3) .
C7 O2 1.255(3) .
C8 O3 1.257(3) .
C8 O4 1.259(3) .
C9 C10 1.303(6) .
C9 C10' 1.380(10) .
C9 C14' 1.413(11) .
C9 C14 1.478(7) .
C12 C11 1.267(7) .
C12 C13' 1.357(12) .
C12 O5 1.398(4) .
C12 C11' 1.425(12) .
C12 C13 1.483(8) .
C10 C11 1.393(7) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C13 C14 1.395(8) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C10' C11' 1.387(13) .
C10' H10' 0.9500 .
C11' H11' 0.9500 .
C13' C14' 1.415(13) .
C13' H13' 0.9500 .
C14' H14' 0.9500 .
O5 C15' 1.417(11) .
O5 C15 1.463(8) .
C16 O7 1.234(4) .
C16 O6 1.251(4) .
C16 C15' 1.518(11) .
C16 C15 1.575(7) .
C15 C17 1.547(13) .
C15 H15 0.9997 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C15' C17' 1.497(15) .
C15' H15' 1.0000 .
C15' H17F 1.2581 .
C17' H15' 0.8393 .
C17' H17D 0.9800 .
C17' H17E 0.9800 .
C17' H17F 0.9800 .
Co1 O9 2.0772(18) .
Co1 O2 2.079(2) .
Co1 O9 2.110(2) 2_575
Co1 O3 2.1225(19) 2_565
Co1 O8 2.150(2) .
Co1 O6 2.156(2) 1_464
Co2 O1 1.994(2) .
Co2 O4 2.014(2) 1_565
Co2 O9 2.0313(19) .
Co2 O6 2.081(2) 2_666
Co2 O10 2.088(3) .
O3 Co1 2.1226(19) 2_565
O4 Co2 2.014(2) 1_545
O6 Co2 2.081(2) 2_666
O6 Co1 2.156(2) 1_646
O8 H8A 0.7417 .
O8 H8B 0.6929 .
O9 Co1 2.110(2) 2_575
O9 H9 0.9328 .
O10 H10A 0.8538 .
O10 H10B 0.8514 .
O11 H11A 1.0210 .
O11 H11B 1.0248 .
O12 H12A 1.0308 .
O12 H12B 1.0643 .
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
O8 H8A O11 0.74 2.32 3.051(4) 166.7 .
O8 H8B O7 0.69 2.23 2.893(4) 159.5 1_464
O9 H9 O10 0.93 2.33 3.238(4) 164.9 2_675
O10 H10A O11 0.85 1.89 2.700(4) 158.0 .
O10 H10B O7 0.85 1.97 2.778(4) 158.2 2_766
O11 H11A O12 1.02 1.67 2.691(5) 177.5 .
O11 H11B O2 1.02 2.03 3.005(4) 158.5 1_655
O11 H11B O3 1.02 2.48 3.208(4) 127.3 2_665
O12 H12A O3 1.03 1.85 2.873(4) 169.9 1_655
O12 H12B O8 1.06 2.34 2.993(4) 118.2 2_665
