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#$Date: 2025-10-04 03:45:04 +0300 (Sat, 04 Oct 2025) $
#$Revision: 302361 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/40/7064044.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_7064044
loop_
_publ_author_name
'Bautina, Sof'ya'
'Vorobyeva, Sofia Navilevna'
'Rudzis, Zakhar V.'
'Rudneva, Yuliya'
'Nadolinnyi, Vladimir A.'
'Plyusnin, Pavel E.'
'Sukhikh, Taisiya Sergeevna'
'Zhurenok, Angelina V.'
'Kozlova, Ekaterina'
'Korenev, Sergey'
_publ_section_title
;
 Double complex salts based on [Rh(NH3)6]3+ as precursors of alloy systems
 Rh--Nb and Rh--V: synthesis, structure, and thermal properties
;
_journal_name_full               'New Journal of Chemistry'
_journal_paper_doi               10.1039/D5NJ03210E
_journal_year                    2025
_chemical_formula_moiety         'H18 N6 Rh, C6 Nb O13, 4(H2 O)'
_chemical_formula_sum            'C6 H26 N6 Nb O17 Rh'
_chemical_formula_weight         650.15
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2025-09-19
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2025-09-19 deposited with the CCDC.	2025-09-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.1610(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.2150(3)
_cell_length_b                   13.8259(5)
_cell_length_c                   16.4926(6)
_cell_measurement_reflns_used    9953
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      78.93
_cell_measurement_theta_min      4.21
_cell_volume                     2061.51(13)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16543
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         78.920
_diffrn_reflns_theta_min         4.206
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    11.906
_exptl_absorpt_correction_T_max  0.7542
_exptl_absorpt_correction_T_min  0.5160
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0814 before and 0.0392 after correction.
The Ratio of minimum to maximum transmission is 0.6842.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.095
_exptl_crystal_description       plate
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.458
_refine_diff_density_min         -1.117
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4318
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0250
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0338P)²+1.2148P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0644
_refine_ls_wR_factor_ref         0.0660
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3888
_reflns_number_total             4318
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nj03210e2.cif
_cod_data_source_block           bsa-59_rh_nb
_cod_database_code               7064044
_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_max   0.797
_shelx_estimated_absorpt_t_min   0.329
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All N(H,H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Free rotating group:
 O15(H15A,H15B), O17(H17A,H17B), O14(H14A,H14B), O16(H16A,H16B)
2.b Idealised Me refined as rotating group:
 N6(H6A,H6B,H6C), N2(H2A,H2B,H2C), N4(H4A,H4B,H4C), N3(H3A,H3B,H3C), N1(H1A,
 H1B,H1C), N5(H5A,H5B,H5C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_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
Rh1 Rh 0.71311(2) 0.74813(2) 0.48048(2) 0.00872(7) Uani 1 1 d . . . . .
Nb1 Nb 0.25123(2) 0.74881(2) 0.66743(2) 0.00963(7) Uani 1 1 d . . . . .
O7 O 0.33534(17) 0.75399(9) 0.80146(10) 0.0152(3) Uani 1 1 d . . . . .
O2 O 0.41801(15) 0.84435(11) 0.64777(9) 0.0177(3) Uani 1 1 d . . . . .
O6 O 0.06246(16) 0.74121(9) 0.72264(9) 0.0127(3) Uani 1 1 d . . . . .
O8 O 0.2688(2) 0.74548(10) 0.92379(10) 0.0212(4) Uani 1 1 d . . . . .
O3 O 0.17785(15) 0.89320(10) 0.68695(9) 0.0189(3) Uani 1 1 d . . . . .
N6 N 0.7523(2) 0.73682(13) 0.60853(12) 0.0164(4) Uani 1 1 d . . . . .
H6A H 0.6648 0.7294 0.6256 0.020 Uiso 1 1 calc R U . . .
H6B H 0.7981 0.7914 0.6314 0.020 Uiso 1 1 calc R U . . .
H6C H 0.8111 0.6847 0.6247 0.020 Uiso 1 1 calc R U . . .
O1 O 0.14157(18) 0.74133(10) 0.57059(10) 0.0192(3) Uani 1 1 d . . . . .
O11 O 0.43715(15) 0.66922(10) 0.64951(9) 0.0168(3) Uani 1 1 d . . . . .
O10 O 0.21222(15) 0.59913(10) 0.69330(9) 0.0177(3) Uani 1 1 d . . . . .
O15 O 0.13667(17) 0.43457(13) 0.83200(10) 0.0268(3) Uani 1 1 d G . . . .
H15A H 0.0418 0.4292 0.8142 0.040 Uiso 1 1 d G U . . .
H15B H 0.1732 0.4406 0.7874 0.040 Uiso 1 1 d G U . . .
O4 O 0.22845(17) 1.05093(11) 0.69135(10) 0.0247(3) Uani 1 1 d . . . . .
N2 N 0.6617(2) 0.75990(11) 0.35286(12) 0.0144(4) Uani 1 1 d . . . . .
H2A H 0.7036 0.7100 0.3298 0.017 Uiso 1 1 calc R U . . .
H2B H 0.6971 0.8169 0.3371 0.017 Uiso 1 1 calc R U . . .
H2C H 0.5617 0.7580 0.3356 0.017 Uiso 1 1 calc R U . . .
O9 O -0.02376(18) 0.74852(10) 0.83915(12) 0.0237(4) Uani 1 1 d . . . . .
N4 N 0.87782(18) 0.85099(12) 0.48278(10) 0.0145(3) Uani 1 1 d . . . . .
H4A H 0.9102 0.8496 0.4340 0.017 Uiso 1 1 calc R U . . .
H4B H 0.9545 0.8378 0.5250 0.017 Uiso 1 1 calc R U . . .
H4C H 0.8410 0.9107 0.4903 0.017 Uiso 1 1 calc R U . . .
N3 N 0.87085(18) 0.64390(12) 0.47190(10) 0.0142(3) Uani 1 1 d . . . . .
H3A H 0.8995 0.6494 0.4223 0.017 Uiso 1 1 calc R U . . .
H3B H 0.8318 0.5841 0.4762 0.017 Uiso 1 1 calc R U . . .
H3C H 0.9506 0.6524 0.5134 0.017 Uiso 1 1 calc R U . . .
O13 O 0.28828(17) 0.44623(11) 0.69072(10) 0.0232(3) Uani 1 1 d . . . . .
O17 O -0.22132(19) 0.44632(13) 0.51397(10) 0.0280(4) Uani 1 1 d G . . . .
H17A H -0.1823 0.4637 0.5641 0.042 Uiso 1 1 d G U . . .
H17B H -0.2105 0.3838 0.5138 0.042 Uiso 1 1 d G U . . .
N1 N 0.55438(18) 0.64112(12) 0.47505(10) 0.0149(3) Uani 1 1 d . . . . .
H1A H 0.5558 0.6025 0.4305 0.018 Uiso 1 1 calc R U . . .
H1B H 0.4635 0.6688 0.4702 0.018 Uiso 1 1 calc R U . . .
H1C H 0.5740 0.6050 0.5220 0.018 Uiso 1 1 calc R U . . .
N5 N 0.56131(18) 0.85589(13) 0.49006(11) 0.0165(3) Uani 1 1 d . . . . .
H5A H 0.5634 0.9013 0.4504 0.020 Uiso 1 1 calc R U . . .
H5B H 0.5848 0.8839 0.5408 0.020 Uiso 1 1 calc R U . . .
H5C H 0.4691 0.8298 0.4832 0.020 Uiso 1 1 calc R U . . .
C6 C 0.2412(2) 0.74851(11) 0.84852(14) 0.0129(4) Uani 1 1 d . . . . .
O14 O -0.09577(17) 0.54245(12) 0.66173(10) 0.0263(3) Uani 1 1 d G . . . .
H14A H -0.0047 0.5618 0.6769 0.039 Uiso 1 1 d G U . . .
H14B H -0.1326 0.5461 0.7064 0.039 Uiso 1 1 d G U . . .
O16 O 0.2126(2) 0.54886(14) 0.97610(11) 0.0347(4) Uani 1 1 d G . . . .
H16A H 0.1851 0.5287 0.9255 0.052 Uiso 1 1 d G U . . .
H16B H 0.2094 0.6116 0.9723 0.052 Uiso 1 1 d G U . . .
O12 O 0.54088(16) 0.52502(11) 0.63861(9) 0.0228(3) Uani 1 1 d . . . . .
C5 C 0.0778(2) 0.74585(12) 0.80134(14) 0.0129(4) Uani 1 1 d . . . . .
O5 O 0.49679(16) 0.99675(11) 0.64165(10) 0.0243(3) Uani 1 1 d . . . . .
C4 C 0.2602(2) 0.96660(15) 0.67970(12) 0.0163(4) Uani 1 1 d . . . . .
C1 C 0.3044(2) 0.53298(14) 0.68201(12) 0.0157(4) Uani 1 1 d . . . . .
C3 C 0.4062(2) 0.93772(16) 0.65412(12) 0.0180(4) Uani 1 1 d . . . . .
C2 C 0.4424(2) 0.57548(15) 0.65454(12) 0.0156(4) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nb Nb -0.1121 2.4826 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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
N2 Rh1 N6 176.83(7) . . ?
N2 Rh1 N4 89.28(7) . . ?
N4 Rh1 N6 92.89(7) . . ?
N3 Rh1 N6 91.77(7) . . ?
N3 Rh1 N2 90.62(7) . . ?
N3 Rh1 N4 87.56(8) . . ?
N1 Rh1 N6 88.42(7) . . ?
N1 Rh1 N2 89.51(7) . . ?
N1 Rh1 N4 177.22(7) . . ?
N1 Rh1 N3 89.95(7) . . ?
N1 Rh1 N5 92.03(8) . . ?
N5 Rh1 N6 87.92(7) . . ?
N5 Rh1 N2 89.77(7) . . ?
N5 Rh1 N4 90.46(7) . . ?
N5 Rh1 N3 177.99(7) . . ?
O2 Nb1 O7 90.49(6) . . ?
O2 Nb1 O6 141.73(5) . . ?
O2 Nb1 O3 72.54(6) . . ?
O2 Nb1 O11 70.55(6) . . ?
O2 Nb1 O10 142.13(5) . . ?
O6 Nb1 O7 74.22(6) . . ?
O6 Nb1 O3 70.94(5) . . ?
O6 Nb1 O10 71.64(5) . . ?
O3 Nb1 O7 83.05(5) . . ?
O3 Nb1 O10 142.30(6) . . ?
O1 Nb1 O7 164.92(7) . . ?
O1 Nb1 O2 102.16(7) . . ?
O1 Nb1 O6 90.72(7) . . ?
O1 Nb1 O3 92.84(6) . . ?
O1 Nb1 O11 100.73(7) . . ?
O1 Nb1 O10 92.04(6) . . ?
O11 Nb1 O7 91.15(6) . . ?
O11 Nb1 O6 142.53(5) . . ?
O11 Nb1 O3 142.56(5) . . ?
O11 Nb1 O10 72.39(5) . . ?
O10 Nb1 O7 82.65(5) . . ?
C6 O7 Nb1 117.52(14) . . ?
C3 O2 Nb1 122.45(13) . . ?
C5 O6 Nb1 119.71(14) . . ?
C4 O3 Nb1 120.66(12) . . ?
Rh1 N6 H6A 109.5 . . ?
Rh1 N6 H6B 109.5 . . ?
Rh1 N6 H6C 109.5 . . ?
H6A N6 H6B 109.5 . . ?
H6A N6 H6C 109.5 . . ?
H6B N6 H6C 109.5 . . ?
C2 O11 Nb1 122.27(12) . . ?
C1 O10 Nb1 120.91(12) . . ?
H15A O15 H15B 104.5 . . ?
Rh1 N2 H2A 109.5 . . ?
Rh1 N2 H2B 109.5 . . ?
Rh1 N2 H2C 109.5 . . ?
H2A N2 H2B 109.5 . . ?
H2A N2 H2C 109.5 . . ?
H2B N2 H2C 109.5 . . ?
Rh1 N4 H4A 109.5 . . ?
Rh1 N4 H4B 109.5 . . ?
Rh1 N4 H4C 109.5 . . ?
H4A N4 H4B 109.5 . . ?
H4A N4 H4C 109.5 . . ?
H4B N4 H4C 109.5 . . ?
Rh1 N3 H3A 109.5 . . ?
Rh1 N3 H3B 109.5 . . ?
Rh1 N3 H3C 109.5 . . ?
H3A N3 H3B 109.5 . . ?
H3A N3 H3C 109.5 . . ?
H3B N3 H3C 109.5 . . ?
H17A O17 H17B 104.6 . . ?
Rh1 N1 H1A 109.5 . . ?
Rh1 N1 H1B 109.5 . . ?
Rh1 N1 H1C 109.5 . . ?
H1A N1 H1B 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
Rh1 N5 H5A 109.5 . . ?
Rh1 N5 H5B 109.5 . . ?
Rh1 N5 H5C 109.5 . . ?
H5A N5 H5B 109.5 . . ?
H5A N5 H5C 109.5 . . ?
H5B N5 H5C 109.5 . . ?
O7 C6 C5 113.84(19) . . ?
O8 C6 O7 126.2(2) . . ?
O8 C6 C5 119.9(2) . . ?
H14A O14 H14B 104.5 . . ?
H16A O16 H16B 104.5 . . ?
O6 C5 C6 114.47(19) . . ?
O9 C5 O6 125.1(2) . . ?
O9 C5 C6 120.5(2) . . ?
O3 C4 C3 112.54(17) . . ?
O4 C4 O3 124.96(19) . . ?
O4 C4 C3 122.50(18) . . ?
O10 C1 C2 112.08(17) . . ?
O13 C1 O10 125.68(19) . . ?
O13 C1 C2 122.25(18) . . ?
O2 C3 C4 111.77(17) . . ?
O5 C3 O2 125.62(19) . . ?
O5 C3 C4 122.6(2) . . ?
O11 C2 C1 112.05(16) . . ?
O12 C2 O11 125.45(19) . . ?
O12 C2 C1 122.49(19) . . ?
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
Rh1 N6 2.0785(19) . ?
Rh1 N2 2.0724(19) . ?
Rh1 N4 2.0750(16) . ?
Rh1 N3 2.0711(16) . ?
Rh1 N1 2.0702(16) . ?
Rh1 N5 2.0705(16) . ?
Nb1 O7 2.1975(16) . ?
Nb1 O2 2.0987(14) . ?
Nb1 O6 2.1164(15) . ?
Nb1 O3 2.1520(14) . ?
Nb1 O1 1.7198(16) . ?
Nb1 O11 2.1046(14) . ?
Nb1 O10 2.1572(14) . ?
O7 C6 1.273(3) . ?
O2 C3 1.301(3) . ?
O6 C5 1.280(3) . ?
O8 C6 1.219(3) . ?
O3 C4 1.286(2) . ?
N6 H6A 0.9100 . ?
N6 H6B 0.9100 . ?
N6 H6C 0.9100 . ?
O11 C2 1.299(3) . ?
O10 C1 1.286(2) . ?
O15 H15A 0.8701 . ?
O15 H15B 0.8700 . ?
O4 C4 1.226(3) . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
N2 H2C 0.9100 . ?
O9 C5 1.221(3) . ?
N4 H4A 0.9100 . ?
N4 H4B 0.9100 . ?
N4 H4C 0.9100 . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N3 H3C 0.9100 . ?
O13 C1 1.220(3) . ?
O17 H17A 0.8698 . ?
O17 H17B 0.8699 . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N1 H1C 0.9100 . ?
N5 H5A 0.9100 . ?
N5 H5B 0.9100 . ?
N5 H5C 0.9100 . ?
C6 C5 1.556(3) . ?
O14 H14A 0.8699 . ?
O14 H14B 0.8697 . ?
O16 H16A 0.8698 . ?
O16 H16B 0.8700 . ?
O12 C2 1.213(2) . ?
O5 C3 1.213(3) . ?
C4 C3 1.539(3) . ?
C1 C2 1.546(3) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Nb1 O7 C6 O8 176.16(14) . . . . ?
Nb1 O7 C6 C5 -3.92(18) . . . . ?
Nb1 O2 C3 O5 -178.13(15) . . . . ?
Nb1 O2 C3 C4 1.7(2) . . . . ?
Nb1 O6 C5 O9 174.98(14) . . . . ?
Nb1 O6 C5 C6 -4.75(18) . . . . ?
Nb1 O3 C4 O4 -178.42(16) . . . . ?
Nb1 O3 C4 C3 1.7(2) . . . . ?
Nb1 O11 C2 O12 173.89(15) . . . . ?
Nb1 O11 C2 C1 -4.9(2) . . . . ?
Nb1 O10 C1 O13 -175.95(16) . . . . ?
Nb1 O10 C1 C2 3.5(2) . . . . ?
O7 C6 C5 O6 5.7(2) . . . . ?
O7 C6 C5 O9 -174.06(16) . . . . ?
O8 C6 C5 O6 -174.40(15) . . . . ?
O8 C6 C5 O9 5.9(2) . . . . ?
O3 C4 C3 O2 -2.1(2) . . . . ?
O3 C4 C3 O5 177.72(19) . . . . ?
O10 C1 C2 O11 0.7(2) . . . . ?
O10 C1 C2 O12 -178.08(18) . . . . ?
O4 C4 C3 O2 178.01(19) . . . . ?
O4 C4 C3 O5 -2.2(3) . . . . ?
O13 C1 C2 O11 -179.76(18) . . . . ?
O13 C1 C2 O12 1.4(3) . . . . ?
