#------------------------------------------------------------------------------
#$Date: 2021-06-18 12:09:00 +0300 (Fri, 18 Jun 2021) $
#$Revision: 266562 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/35/1563579.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_1563579
loop_
_publ_author_name
'Du, Xiao-Di'
'Xiao, Hong-Ping'
'Zhou, Xin-Hui'
'Wu, Tao'
'You, Xiao-Zeng'
_publ_section_title
;
 Diversity of coordination modes in the polymers based on
 3,3′,4,4′-biphenylcarboxylate ligand
;
_journal_issue                   6
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1464
_journal_page_last               1472
_journal_paper_doi               10.1016/j.jssc.2010.04.029
_journal_volume                  183
_journal_year                    2010
_chemical_formula_moiety         'C72 H48 Mn2 N8 O16'
_chemical_formula_sum            'C72 H48 Mn2 N8 O16'
_chemical_formula_weight         1391.06
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.341(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.019(4)
_cell_length_b                   10.491(3)
_cell_length_c                   19.638(5)
_cell_measurement_reflns_used    2001
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.02
_cell_measurement_theta_min      2.73
_cell_volume                     3022.7(14)
_computing_cell_refinement       'SMART; Bruker, 2000'
_computing_data_collection       'SMART; Bruker, 2000'
_computing_data_reduction        'SAINT; Bruker, 2000'
_computing_molecular_graphics    'SHELXTL; Bruker, 2000'
_computing_publication_material  'SHELXTL; Bruker, 2000'
_computing_structure_refinement  'SHELXTL; Bruker, 2000'
_computing_structure_solution    'SHELXTL; Bruker, 2000'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker smart apex II CCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0581
_diffrn_reflns_av_sigmaI/netI    0.0832
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14833
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    0.501
_exptl_absorpt_correction_T_max  0.9286
_exptl_absorpt_correction_T_min  0.8849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1428
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.338
_refine_diff_density_min         -0.315
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         5370
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0104P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0722
_refine_ls_wR_factor_ref         0.0790
_reflns_number_gt                3480
_reflns_number_total             5370
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2010-183-1464.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        3022.8(13)
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      'P2(1)/n  '
_cod_database_code               1563579
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.62801(3) 0.30837(4) 0.87048(2) 0.03592(14) Uani 1 1 d . . .
N1 N 0.53930(19) 0.1372(2) 0.82764(13) 0.0433(7) Uani 1 1 d . . .
N2 N 0.53603(19) 0.2566(2) 0.94682(13) 0.0417(7) Uani 1 1 d . . .
N3 N 0.71622(18) 0.2674(2) 0.79357(13) 0.0383(7) Uani 1 1 d . . .
N4 N 0.74065(18) 0.1694(2) 0.92114(13) 0.0419(7) Uani 1 1 d . . .
O1 O 0.68886(16) 0.4425(2) 0.94992(10) 0.0492(6) Uani 1 1 d . . .
O2 O 0.80047(19) 0.4675(2) 0.89762(11) 0.0762(9) Uani 1 1 d . . .
O3 O 0.94146(19) 0.5767(2) 0.91024(12) 0.0713(9) Uani 1 1 d . . .
H3A H 0.874(3) 0.531(4) 0.8992(18) 0.107 Uiso 1 1 d . . .
O4 O 1.02500(17) 0.7090(2) 0.98048(11) 0.0626(7) Uani 1 1 d . . .
O5 O 0.52190(17) 0.6218(2) 1.33893(11) 0.0721(8) Uani 1 1 d . . .
O6 O 0.61285(17) 0.7838(2) 1.37979(11) 0.0611(7) Uani 1 1 d . . .
H6 H 0.5847 0.7826 1.4113 0.092 Uiso 1 1 calc R . .
O7 O 0.44969(15) 0.55065(19) 1.18636(10) 0.0443(6) Uani 1 1 d . . .
O8 O 0.54580(16) 0.4005(2) 1.23207(12) 0.0650(7) Uani 1 1 d . . .
C1 C 0.5451(2) 0.0757(3) 0.76934(17) 0.0565(10) Uani 1 1 d . . .
H1 H 0.5817 0.1107 0.7415 0.068 Uiso 1 1 calc R . .
C2 C 0.5007(3) -0.0353(3) 0.74798(19) 0.0704(12) Uani 1 1 d . . .
H2 H 0.5067 -0.0744 0.7067 0.084 Uiso 1 1 calc R . .
C3 C 0.4475(3) -0.0875(3) 0.7886(2) 0.0754(13) Uani 1 1 d . . .
H3 H 0.4182 -0.1649 0.7764 0.090 Uiso 1 1 calc R . .
C4 C 0.4377(3) -0.0244(3) 0.84796(18) 0.0639(11) Uani 1 1 d . . .
H4 H 0.4001 -0.0574 0.8756 0.077 Uiso 1 1 calc R . .
C5 C 0.4840(2) 0.0882(3) 0.86603(16) 0.0414(9) Uani 1 1 d . . .
C6 C 0.4772(2) 0.1608(3) 0.92938(16) 0.0389(8) Uani 1 1 d . . .
C7 C 0.4130(3) 0.1335(3) 0.96824(18) 0.0585(11) Uani 1 1 d . . .
H7 H 0.3718 0.0672 0.9553 0.070 Uiso 1 1 calc R . .
C8 C 0.4109(3) 0.2052(4) 1.02575(19) 0.0725(12) Uani 1 1 d . . .
H8 H 0.3684 0.1868 1.0525 0.087 Uiso 1 1 calc R . .
C9 C 0.4701(3) 0.3030(4) 1.04461(17) 0.0650(11) Uani 1 1 d . . .
H9 H 0.4690 0.3526 1.0837 0.078 Uiso 1 1 calc R . .
C10 C 0.5317(2) 0.3255(3) 1.00328(17) 0.0556(10) Uani 1 1 d . . .
H10 H 0.5726 0.3925 1.0153 0.067 Uiso 1 1 calc R . .
C11 C 0.7003(2) 0.3176(3) 0.73015(16) 0.0514(9) Uani 1 1 d . . .
H11 H 0.6497 0.3700 0.7162 0.062 Uiso 1 1 calc R . .
C12 C 0.7564(3) 0.2947(3) 0.68409(18) 0.0646(11) Uani 1 1 d . . .
H12 H 0.7437 0.3305 0.6397 0.078 Uiso 1 1 calc R . .
C13 C 0.8305(3) 0.2189(3) 0.70486(19) 0.0707(13) Uani 1 1 d . . .
H13 H 0.8691 0.2024 0.6747 0.085 Uiso 1 1 calc R . .
C14 C 0.8482(2) 0.1672(3) 0.76995(18) 0.0551(10) Uani 1 1 d . . .
H14 H 0.8992 0.1159 0.7848 0.066 Uiso 1 1 calc R . .
C15 C 0.7890(2) 0.1921(3) 0.81392(16) 0.0390(8) Uani 1 1 d . . .
C16 C 0.8021(2) 0.1354(3) 0.88435(16) 0.0392(8) Uani 1 1 d . . .
C17 C 0.8708(2) 0.0498(3) 0.90987(17) 0.0484(9) Uani 1 1 d . . .
H17 H 0.9128 0.0276 0.8833 0.058 Uiso 1 1 calc R . .
C18 C 0.8766(2) -0.0024(3) 0.97492(19) 0.0595(10) Uani 1 1 d . . .
H18 H 0.9220 -0.0613 0.9925 0.071 Uiso 1 1 calc R . .
C19 C 0.8151(3) 0.0333(3) 1.01337(18) 0.0620(11) Uani 1 1 d . . .
H19 H 0.8178 0.0000 1.0577 0.074 Uiso 1 1 calc R . .
C20 C 0.7490(2) 0.1199(3) 0.98465(17) 0.0544(10) Uani 1 1 d . . .
H20 H 0.7077 0.1455 1.0111 0.065 Uiso 1 1 calc R . .
C21 C 0.7632(2) 0.4911(3) 0.94750(16) 0.0424(9) Uani 1 1 d . . .
C22 C 0.9581(2) 0.6433(3) 0.96575(16) 0.0420(9) Uani 1 1 d . . .
C23 C 0.5806(2) 0.6957(4) 1.33399(16) 0.0456(9) Uani 1 1 d . . .
C24 C 0.5275(2) 0.5110(3) 1.21469(15) 0.0371(8) Uani 1 1 d . . .
C25 C 0.6055(2) 0.6046(3) 1.22165(14) 0.0332(8) Uani 1 1 d . . .
C26 C 0.6288(2) 0.6940(3) 1.27456(14) 0.0369(8) Uani 1 1 d . . .
C27 C 0.6979(2) 0.7792(3) 1.27263(15) 0.0460(9) Uani 1 1 d . . .
H27 H 0.7119 0.8409 1.3073 0.055 Uiso 1 1 calc R . .
C28 C 0.7468(2) 0.7754(3) 1.22066(15) 0.0425(9) Uani 1 1 d . . .
H28 H 0.7924 0.8353 1.2202 0.051 Uiso 1 1 calc R . .
C29 C 0.7283(2) 0.6828(3) 1.16915(14) 0.0346(8) Uani 1 1 d . . .
C30 C 0.6571(2) 0.5990(3) 1.17069(14) 0.0364(8) Uani 1 1 d . . .
H30 H 0.6433 0.5368 1.1363 0.044 Uiso 1 1 calc R . .
C31 C 0.7851(2) 0.6717(3) 1.11560(14) 0.0338(8) Uani 1 1 d . . .
C32 C 0.8679(2) 0.7327(3) 1.12268(15) 0.0368(8) Uani 1 1 d . . .
H32 H 0.8893 0.7842 1.1612 0.044 Uiso 1 1 calc R . .
C33 C 0.9189(2) 0.7174(3) 1.07284(14) 0.0362(8) Uani 1 1 d . . .
H33 H 0.9747 0.7592 1.0790 0.043 Uiso 1 1 calc R . .
C34 C 0.8913(2) 0.6431(3) 1.01407(14) 0.0330(8) Uani 1 1 d . . .
C35 C 0.8077(2) 0.5795(3) 1.00580(14) 0.0330(8) Uani 1 1 d . . .
C36 C 0.7575(2) 0.5957(3) 1.05720(14) 0.0373(8) Uani 1 1 d . . .
H36 H 0.7022 0.5530 1.0520 0.045 Uiso 1 1 calc 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'
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
O7 Mn1 O1 91.54(8) 3_667 .
O7 Mn1 N3 96.88(9) 3_667 .
O1 Mn1 N3 113.00(9) . .
O7 Mn1 N1 98.43(9) 3_667 .
O1 Mn1 N1 154.58(9) . .
N3 Mn1 N1 89.06(9) . .
O7 Mn1 N4 166.44(9) 3_667 .
O1 Mn1 N4 86.66(9) . .
N3 Mn1 N4 71.62(9) . .
N1 Mn1 N4 88.75(9) . .
O7 Mn1 N2 99.93(9) 3_667 .
O1 Mn1 N2 84.47(9) . .
N3 Mn1 N2 155.39(9) . .
N1 Mn1 N2 70.84(9) . .
N4 Mn1 N2 93.27(9) . .
C1 N1 C5 117.4(3) . .
C1 N1 Mn1 123.8(2) . .
C5 N1 Mn1 118.5(2) . .
C6 N2 C10 118.2(3) . .
C6 N2 Mn1 117.8(2) . .
C10 N2 Mn1 123.6(2) . .
C11 N3 C15 119.1(3) . .
C11 N3 Mn1 122.7(2) . .
C15 N3 Mn1 118.2(2) . .
C20 N4 C16 117.7(3) . .
C20 N4 Mn1 124.5(2) . .
C16 N4 Mn1 117.8(2) . .
C21 O1 Mn1 119.2(2) . .
C21 O2 H3A 113.8(16) . .
C22 O3 H3A 114.2(18) . .
C23 O6 H6 109.5 . .
C24 O7 Mn1 147.7(2) . 3_667
N1 C1 C2 124.1(3) . .
N1 C1 H1 117.9 . .
C2 C1 H1 117.9 . .
C3 C2 C1 118.3(4) . .
C3 C2 H2 120.9 . .
C1 C2 H2 120.9 . .
C2 C3 C4 119.1(4) . .
C2 C3 H3 120.4 . .
C4 C3 H3 120.4 . .
C3 C4 C5 119.4(3) . .
C3 C4 H4 120.3 . .
C5 C4 H4 120.3 . .
N1 C5 C4 121.6(3) . .
N1 C5 C6 116.0(3) . .
C4 C5 C6 122.4(3) . .
N2 C6 C7 121.1(3) . .
N2 C6 C5 116.2(3) . .
C7 C6 C5 122.6(3) . .
C8 C7 C6 119.0(3) . .
C8 C7 H7 120.5 . .
C6 C7 H7 120.5 . .
C9 C8 C7 121.0(3) . .
C9 C8 H8 119.5 . .
C7 C8 H8 119.5 . .
C8 C9 C10 116.9(3) . .
C8 C9 H9 121.5 . .
C10 C9 H9 121.5 . .
N2 C10 C9 123.7(3) . .
N2 C10 H10 118.1 . .
C9 C10 H10 118.1 . .
N3 C11 C12 122.2(3) . .
N3 C11 H11 118.9 . .
C12 C11 H11 118.9 . .
C13 C12 C11 118.7(3) . .
C13 C12 H12 120.6 . .
C11 C12 H12 120.6 . .
C12 C13 C14 119.9(3) . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
C13 C14 C15 119.0(3) . .
C13 C14 H14 120.5 . .
C15 C14 H14 120.5 . .
N3 C15 C14 121.0(3) . .
N3 C15 C16 116.9(3) . .
C14 C15 C16 122.0(3) . .
N4 C16 C17 121.8(3) . .
N4 C16 C15 115.4(3) . .
C17 C16 C15 122.7(3) . .
C18 C17 C16 119.4(3) . .
C18 C17 H17 120.3 . .
C16 C17 H17 120.3 . .
C19 C18 C17 119.2(4) . .
C19 C18 H18 120.4 . .
C17 C18 H18 120.4 . .
C18 C19 C20 118.0(3) . .
C18 C19 H19 121.0 . .
C20 C19 H19 121.0 . .
N4 C20 C19 123.8(3) . .
N4 C20 H20 118.1 . .
C19 C20 H20 118.1 . .
O1 C21 O2 120.5(3) . .
O1 C21 C35 118.6(3) . .
O2 C21 C35 120.9(3) . .
O4 C22 O3 121.5(3) . .
O4 C22 C34 118.7(3) . .
O3 C22 C34 119.9(3) . .
O5 C23 O6 125.0(3) . .
O5 C23 C26 122.9(3) . .
O6 C23 C26 112.0(3) . .
O8 C24 O7 124.8(3) . .
O8 C24 C25 117.8(3) . .
O7 C24 C25 117.1(3) . .
C26 C25 C30 118.5(3) . .
C26 C25 C24 124.9(3) . .
C30 C25 C24 116.6(3) . .
C27 C26 C25 119.3(3) . .
C27 C26 C23 120.4(3) . .
C25 C26 C23 120.3(3) . .
C26 C27 C28 121.7(3) . .
C26 C27 H27 119.1 . .
C28 C27 H27 119.1 . .
C27 C28 C29 120.3(3) . .
C27 C28 H28 119.9 . .
C29 C28 H28 119.9 . .
C28 C29 C30 117.5(3) . .
C28 C29 C31 120.9(3) . .
C30 C29 C31 121.6(3) . .
C29 C30 C25 122.6(3) . .
C29 C30 H30 118.7 . .
C25 C30 H30 118.7 . .
C32 C31 C36 117.0(3) . .
C32 C31 C29 122.1(3) . .
C36 C31 C29 120.9(3) . .
C33 C32 C31 120.1(3) . .
C33 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
C32 C33 C34 123.2(3) . .
C32 C33 H33 118.4 . .
C34 C33 H33 118.4 . .
C33 C34 C35 117.8(3) . .
C33 C34 C22 113.6(3) . .
C35 C34 C22 128.5(3) . .
C36 C35 C34 117.9(3) . .
C36 C35 C21 113.8(3) . .
C34 C35 C21 128.3(3) . .
C31 C36 C35 123.9(3) . .
C31 C36 H36 118.1 . .
C35 C36 H36 118.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O7 2.059(2) 3_667
Mn1 O1 2.154(2) .
Mn1 N3 2.253(2) .
Mn1 N1 2.287(3) .
Mn1 N4 2.293(3) .
Mn1 N2 2.310(2) .
N1 C1 1.333(3) .
N1 C5 1.338(4) .
N2 C6 1.334(3) .
N2 C10 1.337(3) .
N3 C11 1.326(3) .
N3 C15 1.339(4) .
N4 C20 1.332(3) .
N4 C16 1.336(4) .
O1 C21 1.237(3) .
O2 C21 1.252(3) .
O2 H3A 1.28(4) .
O3 C22 1.274(3) .
O3 H3A 1.10(4) .
O4 C22 1.202(4) .
O5 C23 1.194(4) .
O6 C23 1.308(4) .
O6 H6 0.8200 .
O7 C24 1.254(4) .
O7 Mn1 2.059(2) 3_667
O8 C24 1.223(3) .
C1 C2 1.362(4) .
C1 H1 0.9300 .
C2 C3 1.358(4) .
C2 H2 0.9300 .
C3 C4 1.376(4) .
C3 H3 0.9300 .
C4 C5 1.378(4) .
C4 H4 0.9300 .
C5 C6 1.481(4) .
C6 C7 1.381(4) .
C7 C8 1.363(4) .
C7 H7 0.9300 .
C8 C9 1.355(5) .
C8 H8 0.9300 .
C9 C10 1.375(4) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.383(4) .
C11 H11 0.9300 .
C12 C13 1.357(5) .
C12 H12 0.9300 .
C13 C14 1.362(4) .
C13 H13 0.9300 .
C14 C15 1.390(4) .
C14 H14 0.9300 .
C15 C16 1.479(4) .
C16 C17 1.379(4) .
C17 C18 1.375(4) .
C17 H17 0.9300 .
C18 C19 1.365(4) .
C18 H18 0.9300 .
C19 C20 1.375(4) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C35 1.514(4) .
C22 C34 1.521(4) .
C23 C26 1.499(4) .
C24 C25 1.512(4) .
C25 C26 1.388(4) .
C25 C30 1.391(3) .
C26 C27 1.375(4) .
C27 C28 1.380(4) .
C27 H27 0.9300 .
C28 C29 1.387(4) .
C28 H28 0.9300 .
C29 C30 1.390(4) .
C29 C31 1.493(3) .
C30 H30 0.9300 .
C31 C32 1.380(4) .
C31 C36 1.385(4) .
C32 C33 1.375(3) .
C32 H32 0.9300 .
C33 C34 1.381(4) .
C33 H33 0.9300 .
C34 C35 1.401(4) .
C35 C36 1.393(3) .
C36 H36 0.9300 .
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 H6 O3 0.82 2.61 3.128(3) 122.9 4_576
O6 H6 O4 0.82 1.78 2.602(3) 176.3 4_576
O3 H3A O2 1.10(4) 1.28(4) 2.373(3) 169(3) .
