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#$Date: 2016-03-26 20:59:30 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180459 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/28/7212845.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_7212845
loop_
_publ_author_name
'Zhang, Wen'
'Sun, Hao-Ling'
'Sato, Osamu'
_publ_section_title
;
 A one-dimensional homochiral Mo(iv)-Cu(ii) coordination polymer:
 spontaneous resolution and photoresponsive properties
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              4045
_journal_paper_doi               10.1039/c0ce00178c
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C36 H86 Cu4 Mo2 N30 O12'
_chemical_formula_weight         1577.39
_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                90.89(3)
_cell_angle_beta                 104.70(3)
_cell_angle_gamma                93.75(3)
_cell_formula_units_Z            1
_cell_length_a                   9.850(2)
_cell_length_b                   11.607(2)
_cell_length_c                   14.313(3)
_cell_measurement_reflns_used    4864
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     1578.6(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Rigaku Saturn'
_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  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10685
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    1.784
_exptl_absorpt_correction_T_max  0.758
_exptl_absorpt_correction_T_min  0.692
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.327
_refine_diff_density_min         -1.278
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5441
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0307
_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)+(0.0435P)²+0.6268P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
_refine_ls_wR_factor_ref         0.0807
_reflns_number_gt                4638
_reflns_number_total             5441
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00178c.txt
_cod_data_source_block           2
_cod_original_cell_volume        1578.5(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7212845
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
Mo1 Mo 0.29341(3) 0.69181(2) 0.269459(18) 0.00671(9) Uani 1 1 d .
Cu1 Cu 0.34192(4) 0.31743(3) 0.08144(3) 0.01101(11) Uani 1 1 d .
Cu2 Cu 0.78773(4) 0.66216(3) 0.52884(3) 0.01061(11) Uani 1 1 d .
N1 N 0.5196(3) 0.2484(3) 0.1630(2) 0.0193(7) Uani 1 1 d .
H1A H 0.5969 0.2914 0.1583 0.023 Uiso 1 1 calc R
H1B H 0.5177 0.2485 0.2256 0.023 Uiso 1 1 calc R
N2 N 0.4045(3) 0.3713(2) -0.0464(2) 0.0180(6) Uani 1 1 d .
H2A H 0.3748 0.4415 -0.0636 0.022 Uiso 1 1 calc R
H2B H 0.4988 0.3745 -0.0358 0.022 Uiso 1 1 calc R
N3 N 0.1299(3) 0.3090(2) 0.0655(2) 0.0163(6) Uani 1 1 d .
H3A H 0.1104 0.3398 0.1183 0.020 Uiso 1 1 calc R
H3B H 0.0879 0.3487 0.0139 0.020 Uiso 1 1 calc R
N4 N 0.3010(3) 0.1607(2) 0.0100(2) 0.0204(7) Uani 1 1 d .
N5 N 0.3695(3) 0.4628(2) 0.1579(2) 0.0153(6) Uani 1 1 d .
N6 N 0.9196(3) 0.6287(2) 0.4468(2) 0.0175(6) Uani 1 1 d .
H6A H 1.0075 0.6248 0.4843 0.021 Uiso 1 1 calc R
H6B H 0.8925 0.5606 0.4144 0.021 Uiso 1 1 calc R
N7 N 0.7987(3) 0.8240(2) 0.47891(19) 0.0136(6) Uani 1 1 d .
H7 H 0.7181 0.8321 0.4322 0.016 Uiso 1 1 calc R
N8 N 0.7204(3) 0.7403(2) 0.6339(2) 0.0217(7) Uani 1 1 d .
H8A H 0.6408 0.7023 0.6404 0.026 Uiso 1 1 calc R
H8B H 0.7859 0.7385 0.6905 0.026 Uiso 1 1 calc R
N9 N 0.1987(3) 0.4827(2) 0.3989(2) 0.0150(6) Uani 1 1 d .
N10 N 0.5432(3) 0.9040(3) 0.2994(2) 0.0219(7) Uani 1 1 d .
N11 N 0.2872(3) 0.8004(2) 0.4831(2) 0.0206(7) Uani 1 1 d .
N12 N 0.5861(3) 0.6133(2) 0.4186(2) 0.0140(6) Uani 1 1 d .
N13 N 0.0994(3) 0.9182(3) 0.2309(2) 0.0211(7) Uani 1 1 d .
N14 N 0.2952(3) 0.7581(3) 0.0454(2) 0.0201(7) Uani 1 1 d .
N15 N -0.0154(3) 0.5816(2) 0.1362(2) 0.0195(7) Uani 1 1 d .
C1 C 0.5247(4) 0.1276(3) 0.1272(3) 0.0212(8) Uani 1 1 d .
H1C H 0.5681 0.0807 0.1806 0.025 Uiso 1 1 calc R
H1D H 0.5806 0.1273 0.0804 0.025 Uiso 1 1 calc R
C2 C 0.3764(4) 0.0780(3) 0.0808(3) 0.0258(9) Uani 1 1 d .
H2C H 0.3794 0.0049 0.0478 0.031 Uiso 1 1 calc R
H2D H 0.3262 0.0639 0.1302 0.031 Uiso 1 1 calc R
C3 C 0.3378(4) 0.2837(3) -0.1223(3) 0.0251(9) Uani 1 1 d .
H3C H 0.3820 0.2895 -0.1756 0.030 Uiso 1 1 calc R
H3D H 0.2387 0.2958 -0.1467 0.030 Uiso 1 1 calc R
C4 C 0.3549(4) 0.1661(3) -0.0793(3) 0.0250(9) Uani 1 1 d .
H4A H 0.3034 0.1075 -0.1265 0.030 Uiso 1 1 calc R
H4B H 0.4535 0.1503 -0.0631 0.030 Uiso 1 1 calc R
C5 C 0.0783(4) 0.1863(3) 0.0520(3) 0.0266(9) Uani 1 1 d .
H5A H -0.0232 0.1792 0.0275 0.032 Uiso 1 1 calc R
H5B H 0.1030 0.1478 0.1131 0.032 Uiso 1 1 calc R
C6 C 0.1460(4) 0.1329(3) -0.0187(3) 0.0305(9) Uani 1 1 d .
H6C H 0.1262 0.0498 -0.0216 0.037 Uiso 1 1 calc R
H6D H 0.1071 0.1617 -0.0825 0.037 Uiso 1 1 calc R
C7 C 0.9163(4) 0.7226(3) 0.3784(3) 0.0199(8) Uani 1 1 d .
H7A H 0.8321 0.7120 0.3254 0.024 Uiso 1 1 calc R
H7B H 0.9978 0.7229 0.3520 0.024 Uiso 1 1 calc R
C8 C 0.9170(4) 0.8350(3) 0.4331(3) 0.0196(8) Uani 1 1 d .
H8C H 1.0053 0.8495 0.4818 0.023 Uiso 1 1 calc R
H8D H 0.9056 0.8986 0.3892 0.023 Uiso 1 1 calc R
C9 C 0.8022(4) 0.9069(3) 0.5589(3) 0.0214(8) Uani 1 1 d .
H9A H 0.7805 0.9826 0.5340 0.026 Uiso 1 1 calc R
H9B H 0.8949 0.9134 0.6035 0.026 Uiso 1 1 calc R
C10 C 0.6934(4) 0.8616(3) 0.6097(3) 0.0254(9) Uani 1 1 d .
H10A H 0.7006 0.9077 0.6681 0.030 Uiso 1 1 calc R
H10B H 0.5996 0.8655 0.5678 0.030 Uiso 1 1 calc R
C11 C 0.3490(3) 0.5430(3) 0.1986(2) 0.0105(7) Uani 1 1 d .
C12 C 0.4851(3) 0.6394(3) 0.3649(2) 0.0102(7) Uani 1 1 d .
C13 C 0.2249(3) 0.5549(3) 0.3515(2) 0.0119(7) Uani 1 1 d .
C14 C 0.4538(3) 0.8311(3) 0.2856(2) 0.0137(7) Uani 1 1 d .
C15 C 0.2880(3) 0.7650(3) 0.4077(2) 0.0130(7) Uani 1 1 d .
C16 C 0.1662(3) 0.8389(3) 0.2439(2) 0.0128(7) Uani 1 1 d .
C17 C 0.2967(3) 0.7373(3) 0.1237(2) 0.0120(7) Uani 1 1 d .
C18 C 0.0900(3) 0.6216(3) 0.1840(2) 0.0113(7) Uani 1 1 d .
O1 O 0.4272(2) 0.6435(2) 0.62644(17) 0.0205(6) Uani 1 1 d .
H1E H 0.3985 0.6716 0.5757 0.025 Uiso 1 1 d R
H1F H 0.4326 0.5796 0.6019 0.025 Uiso 1 1 d R
O2 O 0.7593(3) 0.4116(2) 0.10704(18) 0.0281(6) Uani 1 1 d .
H2E H 0.7863 0.4331 0.0578 0.034 Uiso 1 1 d R
H2F H 0.8186 0.4097 0.1616 0.034 Uiso 1 1 d R
O3 O 0.8830(3) 0.0717(2) 0.20642(19) 0.0303(6) Uani 1 1 d .
H3E H 0.8407 0.0740 0.2588 0.036 Uiso 1 1 d R
H3F H 0.9418 0.0166 0.2076 0.036 Uiso 1 1 d R
O4 O 0.7492(3) 0.0881(2) 0.34834(18) 0.0312(7) Uani 1 1 d .
H4F H 0.6797 0.0327 0.3305 0.037 Uiso 1 1 d R
H4E H 0.7354 0.1299 0.3949 0.037 Uiso 1 1 d R
O5 O 0.0068(4) 0.7083(3) 0.7651(2) 0.0479(8) Uani 1 1 d D
H5C H -0.0008 0.7855 0.7576 0.072 Uiso 1 1 d RD
H5F H 0.0741 0.7594 0.7856 0.072 Uiso 1 1 d R
O6 O 0.8535(4) 0.3961(3) 0.3593(4) 0.1017(19) Uani 1 1 d .
H6F H 0.7972 0.3369 0.3572 0.153 Uiso 1 1 d R
H6E H 0.9094 0.3834 0.3244 0.153 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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
C14 Mo1 C15 79.81(13) . .
C14 Mo1 C11 110.59(12) . .
C15 Mo1 C11 143.91(11) . .
C14 Mo1 C12 71.36(12) . .
C15 Mo1 C12 76.97(12) . .
C11 Mo1 C12 74.36(12) . .
C14 Mo1 C13 140.32(12) . .
C15 Mo1 C13 72.13(12) . .
C11 Mo1 C13 79.73(12) . .
C12 Mo1 C13 75.33(12) . .
C14 Mo1 C18 145.24(12) . .
C15 Mo1 C18 113.57(12) . .
C11 Mo1 C18 78.14(12) . .
C12 Mo1 C18 141.31(12) . .
C13 Mo1 C18 73.39(12) . .
C14 Mo1 C16 79.17(12) . .
C15 Mo1 C16 71.94(12) . .
C11 Mo1 C16 142.78(11) . .
C12 Mo1 C16 140.23(12) . .
C13 Mo1 C16 116.37(12) . .
C18 Mo1 C16 75.45(12) . .
C14 Mo1 C17 74.46(12) . .
C15 Mo1 C17 142.65(12) . .
C11 Mo1 C17 71.87(12) . .
C12 Mo1 C17 118.27(12) . .
C13 Mo1 C17 142.35(12) . .
C18 Mo1 C17 76.93(12) . .
C16 Mo1 C17 76.94(12) . .
N5 Cu1 N4 174.49(12) . .
N5 Cu1 N3 92.11(12) . .
N4 Cu1 N3 84.07(12) . .
N5 Cu1 N1 95.13(12) . .
N4 Cu1 N1 85.36(12) . .
N3 Cu1 N1 140.14(12) . .
N5 Cu1 N2 101.78(12) . .
N4 Cu1 N2 83.43(12) . .
N3 Cu1 N2 113.76(11) . .
N1 Cu1 N2 102.99(11) . .
N9 Cu2 N6 98.19(11) 2_666 .
N9 Cu2 N8 89.86(12) 2_666 .
N6 Cu2 N8 157.33(13) . .
N9 Cu2 N7 168.90(11) 2_666 .
N6 Cu2 N7 84.50(11) . .
N8 Cu2 N7 83.86(11) . .
N9 Cu2 N12 97.97(11) 2_666 .
N6 Cu2 N12 97.69(11) . .
N8 Cu2 N12 102.15(12) . .
N7 Cu2 N12 92.30(11) . .
C1 N1 Cu1 109.1(2) . .
C1 N1 H1A 109.9 . .
Cu1 N1 H1A 109.9 . .
C1 N1 H1B 109.9 . .
Cu1 N1 H1B 109.9 . .
H1A N1 H1B 108.3 . .
C3 N2 Cu1 105.7(2) . .
C3 N2 H2A 110.6 . .
Cu1 N2 H2A 110.6 . .
C3 N2 H2B 110.6 . .
Cu1 N2 H2B 110.6 . .
H2A N2 H2B 108.7 . .
C5 N3 Cu1 107.6(2) . .
C5 N3 H3A 110.2 . .
Cu1 N3 H3A 110.2 . .
C5 N3 H3B 110.2 . .
Cu1 N3 H3B 110.2 . .
H3A N3 H3B 108.5 . .
C6 N4 C2 112.5(3) . .
C6 N4 C4 109.1(3) . .
C2 N4 C4 112.1(3) . .
C6 N4 Cu1 108.8(2) . .
C2 N4 Cu1 104.9(2) . .
C4 N4 Cu1 109.3(2) . .
C11 N5 Cu1 162.4(3) . .
C7 N6 Cu2 108.1(2) . .
C7 N6 H6A 110.1 . .
Cu2 N6 H6A 110.1 . .
C7 N6 H6B 110.1 . .
Cu2 N6 H6B 110.1 . .
H6A N6 H6B 108.4 . .
C8 N7 C9 117.0(3) . .
C8 N7 Cu2 108.31(19) . .
C9 N7 Cu2 108.2(2) . .
C8 N7 H7 107.7 . .
C9 N7 H7 107.7 . .
Cu2 N7 H7 107.7 . .
C10 N8 Cu2 110.1(2) . .
C10 N8 H8A 109.6 . .
Cu2 N8 H8A 109.6 . .
C10 N8 H8B 109.6 . .
Cu2 N8 H8B 109.6 . .
H8A N8 H8B 108.2 . .
C13 N9 Cu2 160.2(3) . 2_666
C12 N12 Cu2 150.1(2) . .
N1 C1 C2 109.2(3) . .
N1 C1 H1C 109.8 . .
C2 C1 H1C 109.8 . .
N1 C1 H1D 109.8 . .
C2 C1 H1D 109.8 . .
H1C C1 H1D 108.3 . .
N4 C2 C1 109.8(3) . .
N4 C2 H2C 109.7 . .
C1 C2 H2C 109.7 . .
N4 C2 H2D 109.7 . .
C1 C2 H2D 109.7 . .
H2C C2 H2D 108.2 . .
N2 C3 C4 108.3(3) . .
N2 C3 H3C 110.0 . .
C4 C3 H3C 110.0 . .
N2 C3 H3D 110.0 . .
C4 C3 H3D 110.0 . .
H3C C3 H3D 108.4 . .
N4 C4 C3 110.4(3) . .
N4 C4 H4A 109.6 . .
C3 C4 H4A 109.6 . .
N4 C4 H4B 109.6 . .
C3 C4 H4B 109.6 . .
H4A C4 H4B 108.1 . .
N3 C5 C6 107.4(3) . .
N3 C5 H5A 110.2 . .
C6 C5 H5A 110.2 . .
N3 C5 H5B 110.2 . .
C6 C5 H5B 110.2 . .
H5A C5 H5B 108.5 . .
N4 C6 C5 110.5(3) . .
N4 C6 H6C 109.5 . .
C5 C6 H6C 109.5 . .
N4 C6 H6D 109.5 . .
C5 C6 H6D 109.5 . .
H6C C6 H6D 108.1 . .
N6 C7 C8 107.6(3) . .
N6 C7 H7A 110.2 . .
C8 C7 H7A 110.2 . .
N6 C7 H7B 110.2 . .
C8 C7 H7B 110.2 . .
H7A C7 H7B 108.5 . .
N7 C8 C7 107.2(3) . .
N7 C8 H8C 110.3 . .
C7 C8 H8C 110.3 . .
N7 C8 H8D 110.3 . .
C7 C8 H8D 110.3 . .
H8C C8 H8D 108.5 . .
N7 C9 C10 107.2(3) . .
N7 C9 H9A 110.3 . .
C10 C9 H9A 110.3 . .
N7 C9 H9B 110.3 . .
C10 C9 H9B 110.3 . .
H9A C9 H9B 108.5 . .
N8 C10 C9 107.8(3) . .
N8 C10 H10A 110.2 . .
C9 C10 H10A 110.2 . .
N8 C10 H10B 110.2 . .
C9 C10 H10B 110.2 . .
H10A C10 H10B 108.5 . .
N5 C11 Mo1 175.6(3) . .
N12 C12 Mo1 177.6(3) . .
N9 C13 Mo1 174.9(3) . .
N10 C14 Mo1 176.2(3) . .
N11 C15 Mo1 177.4(3) . .
N13 C16 Mo1 179.3(3) . .
N14 C17 Mo1 177.6(3) . .
N15 C18 Mo1 177.1(3) . .
H1E O1 H1F 93.4 . .
H2E O2 H2F 120.0 . .
H3E O3 H3F 115.8 . .
H4F O4 H4E 109.6 . .
H5C O5 H5F 55.7 . .
H6F O6 H6E 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 C14 2.152(4) .
Mo1 C15 2.155(3) .
Mo1 C11 2.160(3) .
Mo1 C12 2.161(3) .
Mo1 C13 2.163(3) .
Mo1 C18 2.165(3) .
Mo1 C16 2.165(3) .
Mo1 C17 2.168(3) .
Cu1 N5 1.962(3) .
Cu1 N4 2.038(3) .
Cu1 N3 2.038(3) .
Cu1 N1 2.060(3) .
Cu1 N2 2.163(3) .
Cu2 N9 1.982(3) 2_666
Cu2 N6 2.010(3) .
Cu2 N8 2.016(3) .
Cu2 N7 2.026(3) .
Cu2 N12 2.234(3) .
N1 C1 1.494(4) .
N1 H1A 0.9000 .
N1 H1B 0.9000 .
N2 C3 1.470(5) .
N2 H2A 0.9000 .
N2 H2B 0.9000 .
N3 C5 1.473(4) .
N3 H3A 0.9000 .
N3 H3B 0.9000 .
N4 C6 1.488(5) .
N4 C2 1.497(5) .
N4 C4 1.506(5) .
N5 C11 1.146(4) .
N6 C7 1.473(4) .
N6 H6A 0.9000 .
N6 H6B 0.9000 .
N7 C8 1.475(4) .
N7 C9 1.476(4) .
N7 H7 0.9100 .
N8 C10 1.480(5) .
N8 H8A 0.9000 .
N8 H8B 0.9000 .
N9 C13 1.144(4) .
N9 Cu2 1.982(3) 2_666
N10 C14 1.157(4) .
N11 C15 1.152(4) .
N12 C12 1.154(4) .
N13 C16 1.157(4) .
N14 C17 1.147(4) .
N15 C18 1.152(4) .
C1 C2 1.514(5) .
C1 H1C 0.9700 .
C1 H1D 0.9700 .
C2 H2C 0.9700 .
C2 H2D 0.9700 .
C3 C4 1.509(5) .
C3 H3C 0.9700 .
C3 H3D 0.9700 .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.494(5) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6C 0.9700 .
C6 H6D 0.9700 .
C7 C8 1.509(5) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8C 0.9700 .
C8 H8D 0.9700 .
C9 C10 1.512(5) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
O1 H1E 0.7926 .
O1 H1F 0.8262 .
O2 H2E 0.8499 .
O2 H2F 0.8503 .
O3 H3E 0.9463 .
O3 H3F 0.8881 .
O4 H4F 0.8927 .
O4 H4E 0.8613 .
O5 H5C 0.9107 .
O5 H5F 0.8500 .
O6 H6F 0.8500 .
O6 H6E 0.8499 .
