#------------------------------------------------------------------------------
#$Date: 2022-06-02 05:14:52 +0300 (Thu, 02 Jun 2022) $
#$Revision: 275738 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/89/2108981.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2108981
loop_
_publ_author_name
'Filatov, Evgeny'
'Lagunova, Varvara'
'Kochetygov, Ilia'
'Plyusnin, Pavel'
'Kuratieva, Natalia'
'Kostin, Gennadiy'
'Korenev, Sergey'
_publ_section_title
;
 Synthesis and investigation of the thermal properties of
 [Co(NH₃)₆][Co(C₂O₄)₃]·3H₂O and
 [Ir(NH₃)₆][Ir(C₂O₄)₃]
;
_journal_coeditor_code           YH5018
_journal_issue                   '3 Part 2'
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S205252062200405X
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          '[Co (N H3)6], [Co (C2 O4)3], 3(H2 O)'
_chemical_formula_moiety         'Co H18 N6 2+, C6 Co O12 2-, 3(H2 O)'
_chemical_formula_sum            'C6 H24 Co2 N6 O15'
_chemical_formula_weight         538.17
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   12.3686(2)
_cell_length_b                   12.3686(2)
_cell_length_c                   21.1962(4)
_cell_measurement_reflns_used    6138
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.70
_cell_volume                     2808.21(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker--Nonius X8 APEX CCD area-detector'
_diffrn_measurement_method       'φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            23212
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.250
_diffrn_reflns_theta_max         28.265
_diffrn_reflns_theta_min         2.130
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.909
_exptl_crystal_description       prism
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_exptl_transmission_factor_max   0.745
_exptl_transmission_factor_min   0.646
_refine_diff_density_max         0.733
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         4663
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0318
_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)+(0.0390P)²+0.7848P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0795
_refine_ls_wR_factor_ref         0.0843
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3638
_reflns_number_total             4663
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            yh5018sup1.cif
_cod_data_source_block           fil002_CoNH36CoOx33H2O
_cod_original_cell_volume        2808.21(11)
_cod_database_code               2108981
_publcif_datablock.id            {feb1bbdb-9c86-43f6-924a-605af9f4c6de}
_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   0.707
_shelx_estimated_absorpt_t_max   0.755
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -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
Co1 Co 0.0000 0.0000 0.0000 0.01559(13) Uani 1 6 d S T P . .
Co2 Co 0.0000 0.0000 0.5000 0.01885(14) Uani 1 6 d S T P . .
Co3 Co 0.3333 0.6667 0.16322(2) 0.01766(11) Uani 1 3 d S T P . .
Co4 Co 0.6667 0.3333 0.30619(2) 0.02008(11) Uani 1 3 d S T P . .
Co5 Co 0.6667 0.3333 0.07108(2) 0.01625(10) Uani 1 3 d S T P . .
Co6 Co 0.0000 0.0000 0.25523(2) 0.01700(11) Uani 1 3 d S T P . .
Co7 Co 0.3333 0.6667 0.39738(2) 0.02077(11) Uani 1 3 d S T P . .
O51 O 0.56180(13) 0.19305(13) 0.01931(6) 0.0241(3) Uani 1 1 d . . . . .
O52 O 0.52072(13) 0.28122(14) 0.12157(6) 0.0238(3) Uani 1 1 d . . . . .
O53 O 0.36068(15) 0.05189(16) 0.00743(8) 0.0421(4) Uani 1 1 d . . . . .
O54 O 0.31525(15) 0.15120(18) 0.11595(9) 0.0464(5) Uani 1 1 d . . . . .
O61 O 0.07913(14) 0.14613(13) 0.20484(6) 0.0272(3) Uani 1 1 d . . . . .
O62 O -0.05490(13) 0.08837(13) 0.30619(6) 0.0260(3) Uani 1 1 d . . . . .
O63 O 0.1069(2) 0.33724(16) 0.20321(9) 0.0565(5) Uani 1 1 d . . . . .
O64 O -0.04094(17) 0.27410(16) 0.31225(8) 0.0432(4) Uani 1 1 d . . . . .
O71 O 0.32486(14) 0.53567(14) 0.34811(7) 0.0296(3) Uani 1 1 d . . . . .
O72 O 0.20664(14) 0.54019(14) 0.44719(7) 0.0281(3) Uani 1 1 d . . . . .
O73 O 0.24387(18) 0.32935(15) 0.35340(8) 0.0456(5) Uani 1 1 d . . . . .
O74 O 0.09892(17) 0.33326(15) 0.45471(8) 0.0425(4) Uani 1 1 d . . . . .
N1 N 0.07181(16) 0.14927(16) 0.05477(8) 0.0244(4) Uani 1 1 d . . . . .
H1A H 0.1427 0.2087 0.0379 0.037 Uiso 1 1 calc R U . . .
H1B H 0.0871 0.1295 0.0928 0.037 Uiso 1 1 calc R U . . .
H1C H 0.0180 0.1768 0.0582 0.037 Uiso 1 1 calc R U . . .
N2 N -0.09834(18) 0.04910(19) 0.44636(8) 0.0297(4) Uani 1 1 d . . . . .
H2A H -0.1251 0.0914 0.4693 0.045 Uiso 1 1 calc R U . . .
H2B H -0.1636 -0.0189 0.4306 0.045 Uiso 1 1 calc R U . . .
H2C H -0.0508 0.0971 0.4149 0.045 Uiso 1 1 calc R U . . .
N31 N 0.23835(16) 0.51913(16) 0.10955(8) 0.0257(4) Uani 1 1 d . . . . .
H31A H 0.2184 0.4505 0.1316 0.039 Uiso 1 1 calc R U . . .
H31B H 0.2846 0.5233 0.0765 0.039 Uiso 1 1 calc R U . . .
H31C H 0.1690 0.5168 0.0962 0.039 Uiso 1 1 calc R U . . .
N32 N 0.39536(17) 0.57982(17) 0.21631(8) 0.0267(4) Uani 1 1 d . . . . .
H32A H 0.3601 0.5662 0.2543 0.040 Uiso 1 1 calc R U . . .
H32B H 0.4779 0.6266 0.2202 0.040 Uiso 1 1 calc R U . . .
H32C H 0.3763 0.5072 0.1986 0.040 Uiso 1 1 calc R U . . .
N41 N 0.55851(16) 0.18938(16) 0.25260(8) 0.0261(4) Uani 1 1 d . . . . .
H41A H 0.5428 0.2162 0.2167 0.039 Uiso 1 1 calc R U . . .
H41B H 0.4871 0.1406 0.2726 0.039 Uiso 1 1 calc R U . . .
H41C H 0.5967 0.1462 0.2442 0.039 Uiso 1 1 calc R U . . .
N42 N 0.52176(18) 0.30024(18) 0.35869(8) 0.0323(4) Uani 1 1 d . . . . .
H42A H 0.5345 0.3712 0.3760 0.049 Uiso 1 1 calc R U . . .
H42B H 0.5118 0.2462 0.3890 0.049 Uiso 1 1 calc R U . . .
H42C H 0.4535 0.2683 0.3348 0.049 Uiso 1 1 calc R U . . .
C51 C 0.44631(19) 0.1375(2) 0.03611(10) 0.0258(4) Uani 1 1 d . . . . .
C52 C 0.4207(2) 0.1913(2) 0.09658(10) 0.0260(4) Uani 1 1 d . . . . .
C61 C 0.0634(2) 0.2343(2) 0.22654(10) 0.0293(5) Uani 1 1 d . . . . .
C62 C -0.01663(19) 0.1998(2) 0.28676(10) 0.0253(4) Uani 1 1 d . . . . .
C71 C 0.2541(2) 0.4267(2) 0.37254(10) 0.0280(5) Uani 1 1 d . . . . .
C72 C 0.1795(2) 0.4297(2) 0.42989(10) 0.0271(5) Uani 1 1 d . . . . .
O1W O 0.4478(2) 0.4646(2) 0.10662(10) 0.0587(6) Uani 1 1 d D . . . .
H11W H 0.469(3) 0.409(2) 0.1287(11) 0.070 Uiso 1 1 d D U . . .
H12W H 0.427(3) 0.437(3) 0.0627(6) 0.070 Uiso 1 1 d D U . . .
O2W O 0.36005(17) 0.30800(19) 0.23882(9) 0.0469(5) Uani 1 1 d D . . . .
H21W H 0.307(3) 0.239(2) 0.2134(14) 0.084(12) Uiso 1 1 d D . . . .
H22W H 0.305(2) 0.301(3) 0.2714(10) 0.061(9) Uiso 1 1 d D . . . .
O3W O 0.6144(2) 0.5063(2) 0.45118(9) 0.0561(6) Uani 1 1 d D . . . .
H31W H 0.586(3) 0.454(3) 0.4873(10) 0.086(12) Uiso 1 1 d D . . . .
H32W H 0.635(3) 0.5893(15) 0.4608(16) 0.088(12) Uiso 1 1 d D . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N1 Co1 N1 180.0 . 4 ?
N1 Co1 N1 91.01(7) . 5 ?
N1 Co1 N1 88.99(7) 4 5 ?
N1 Co1 N1 88.99(7) . 2 ?
N1 Co1 N1 91.01(7) 4 2 ?
N1 Co1 N1 180.00(11) 5 2 ?
N1 Co1 N1 91.01(7) . 6 ?
N1 Co1 N1 88.99(7) 4 6 ?
N1 Co1 N1 88.99(7) 5 6 ?
N1 Co1 N1 91.01(7) 2 6 ?
N1 Co1 N1 88.99(7) . 3 ?
N1 Co1 N1 91.01(7) 4 3 ?
N1 Co1 N1 91.01(7) 5 3 ?
N1 Co1 N1 88.99(7) 2 3 ?
N1 Co1 N1 180.00(11) 6 3 ?
N2 Co2 N2 89.99(7) . 5_556 ?
N2 Co2 N2 90.01(7) . 2 ?
N2 Co2 N2 180.00(8) 5_556 2 ?
N2 Co2 N2 180.0 . 4_556 ?
N2 Co2 N2 90.01(7) 5_556 4_556 ?
N2 Co2 N2 89.99(7) 2 4_556 ?
N2 Co2 N2 89.99(7) . 6_556 ?
N2 Co2 N2 90.01(7) 5_556 6_556 ?
N2 Co2 N2 89.99(7) 2 6_556 ?
N2 Co2 N2 90.01(7) 4_556 6_556 ?
N2 Co2 N2 90.01(7) . 3 ?
N2 Co2 N2 89.99(7) 5_556 3 ?
N2 Co2 N2 90.01(7) 2 3 ?
N2 Co2 N2 89.99(7) 4_556 3 ?
N2 Co2 N2 180.00(10) 6_556 3 ?
N32 Co3 N32 90.26(7) 3_565 2_665 ?
N32 Co3 N32 90.25(7) 3_565 . ?
N32 Co3 N32 90.25(7) 2_665 . ?
N32 Co3 N31 92.27(8) 3_565 3_565 ?
N32 Co3 N31 87.73(7) 2_665 3_565 ?
N32 Co3 N31 176.78(7) . 3_565 ?
N32 Co3 N31 87.72(7) 3_565 . ?
N32 Co3 N31 176.78(7) 2_665 . ?
N32 Co3 N31 92.27(8) . . ?
N31 Co3 N31 89.84(7) 3_565 . ?
N32 Co3 N31 176.77(7) 3_565 2_665 ?
N32 Co3 N31 92.27(8) 2_665 2_665 ?
N32 Co3 N31 87.73(7) . 2_665 ?
N31 Co3 N31 89.84(7) 3_565 2_665 ?
N31 Co3 N31 89.84(7) . 2_665 ?
N41 Co4 N41 89.98(7) 2_655 . ?
N41 Co4 N41 89.98(7) 2_655 3_665 ?
N41 Co4 N41 89.98(7) . 3_665 ?
N41 Co4 N42 90.10(8) 2_655 2_655 ?
N41 Co4 N42 88.67(7) . 2_655 ?
N41 Co4 N42 178.64(8) 3_665 2_655 ?
N41 Co4 N42 88.67(7) 2_655 3_665 ?
N41 Co4 N42 178.64(8) . 3_665 ?
N41 Co4 N42 90.10(8) 3_665 3_665 ?
N42 Co4 N42 91.25(8) 2_655 3_665 ?
N41 Co4 N42 178.64(8) 2_655 . ?
N41 Co4 N42 90.10(8) . . ?
N41 Co4 N42 88.67(7) 3_665 . ?
N42 Co4 N42 91.25(8) 2_655 . ?
N42 Co4 N42 91.25(8) 3_665 . ?
O51 Co5 O51 90.27(6) . 2_655 ?
O51 Co5 O51 90.27(6) . 3_665 ?
O51 Co5 O51 90.27(6) 2_655 3_665 ?
O51 Co5 O52 92.98(6) . 2_655 ?
O51 Co5 O52 85.26(6) 2_655 2_655 ?
O51 Co5 O52 174.48(6) 3_665 2_655 ?
O51 Co5 O52 174.48(6) . 3_665 ?
O51 Co5 O52 92.98(6) 2_655 3_665 ?
O51 Co5 O52 85.26(6) 3_665 3_665 ?
O52 Co5 O52 91.73(6) 2_655 3_665 ?
O51 Co5 O52 85.27(6) . . ?
O51 Co5 O52 174.48(6) 2_655 . ?
O51 Co5 O52 92.99(6) 3_665 . ?
O52 Co5 O52 91.72(6) 2_655 . ?
O52 Co5 O52 91.73(6) 3_665 . ?
O62 Co6 O62 90.52(6) . 3 ?
O62 Co6 O62 90.52(6) . 2 ?
O62 Co6 O62 90.52(6) 3 2 ?
O62 Co6 O61 86.22(6) . . ?
O62 Co6 O61 92.01(6) 3 . ?
O62 Co6 O61 175.89(6) 2 . ?
O62 Co6 O61 92.01(6) . 2 ?
O62 Co6 O61 175.89(6) 3 2 ?
O62 Co6 O61 86.22(6) 2 2 ?
O61 Co6 O61 91.39(6) . 2 ?
O62 Co6 O61 175.89(6) . 3 ?
O62 Co6 O61 86.22(6) 3 3 ?
O62 Co6 O61 92.01(6) 2 3 ?
O61 Co6 O61 91.39(6) . 3 ?
O61 Co6 O61 91.39(6) 2 3 ?
O71 Co7 O71 92.30(6) 3_565 2_665 ?
O71 Co7 O71 92.30(6) 3_565 . ?
O71 Co7 O71 92.30(6) 2_665 . ?
O71 Co7 O72 86.05(6) 3_565 3_565 ?
O71 Co7 O72 89.92(7) 2_665 3_565 ?
O71 Co7 O72 177.29(6) . 3_565 ?
O71 Co7 O72 89.92(7) 3_565 . ?
O71 Co7 O72 177.29(6) 2_665 . ?
O71 Co7 O72 86.06(6) . . ?
O72 Co7 O72 91.79(6) 3_565 . ?
O71 Co7 O72 177.29(6) 3_565 2_665 ?
O71 Co7 O72 86.05(6) 2_665 2_665 ?
O71 Co7 O72 89.92(7) . 2_665 ?
O72 Co7 O72 91.79(6) 3_565 2_665 ?
O72 Co7 O72 91.79(6) . 2_665 ?
C51 O51 Co5 113.22(13) . . ?
C52 O52 Co5 113.38(13) . . ?
C61 O61 Co6 112.47(13) . . ?
C62 O62 Co6 113.12(13) . . ?
C71 O71 Co7 113.05(13) . . ?
C72 O72 Co7 112.84(13) . . ?
O53 C51 O51 125.1(2) . . ?
O53 C51 C52 120.64(19) . . ?
O51 C51 C52 114.24(17) . . ?
O54 C52 O52 125.8(2) . . ?
O54 C52 C51 120.96(19) . . ?
O52 C52 C51 113.27(17) . . ?
O63 C61 O61 124.7(2) . . ?
O63 C61 C62 121.0(2) . . ?
O61 C61 C62 114.29(17) . . ?
O64 C62 O62 124.6(2) . . ?
O64 C62 C61 121.5(2) . . ?
O62 C62 C61 113.89(17) . . ?
O73 C71 O71 125.4(2) . . ?
O73 C71 C72 121.4(2) . . ?
O71 C71 C72 113.17(18) . . ?
O74 C72 O72 124.3(2) . . ?
O74 C72 C71 121.4(2) . . ?
O72 C72 C71 114.19(18) . . ?
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
Co1 N1 1.9763(16) . ?
Co1 N1 1.9763(16) 4 ?
Co1 N1 1.9763(16) 5 ?
Co1 N1 1.9763(16) 2 ?
Co1 N1 1.9764(16) 6 ?
Co1 N1 1.9764(16) 3 ?
Co2 N2 1.9697(17) . ?
Co2 N2 1.9697(17) 5_556 ?
Co2 N2 1.9697(17) 2 ?
Co2 N2 1.9697(17) 4_556 ?
Co2 N2 1.9697(17) 6_556 ?
Co2 N2 1.9697(17) 3 ?
Co3 N32 1.9577(17) 3_565 ?
Co3 N32 1.9577(17) 2_665 ?
Co3 N32 1.9577(17) . ?
Co3 N31 1.9648(17) 3_565 ?
Co3 N31 1.9648(17) . ?
Co3 N31 1.9648(17) 2_665 ?
Co4 N41 1.9667(17) 2_655 ?
Co4 N41 1.9667(17) . ?
Co4 N41 1.9668(17) 3_665 ?
Co4 N42 1.9709(18) 2_655 ?
Co4 N42 1.9709(18) 3_665 ?
Co4 N42 1.9709(18) . ?
Co5 O51 1.9096(14) . ?
Co5 O51 1.9096(14) 2_655 ?
Co5 O51 1.9096(14) 3_665 ?
Co5 O52 1.9119(14) 2_655 ?
Co5 O52 1.9119(14) 3_665 ?
Co5 O52 1.9119(14) . ?
Co6 O62 1.8881(14) . ?
Co6 O62 1.8881(14) 3 ?
Co6 O62 1.8881(14) 2 ?
Co6 O61 1.8964(14) . ?
Co6 O61 1.8964(14) 2 ?
Co6 O61 1.8964(14) 3 ?
Co7 O71 1.8860(14) 3_565 ?
Co7 O71 1.8860(14) 2_665 ?
Co7 O71 1.8860(14) . ?
Co7 O72 1.8883(14) 3_565 ?
Co7 O72 1.8883(14) . ?
Co7 O72 1.8883(14) 2_665 ?
O51 C51 1.288(2) . ?
O52 C52 1.293(2) . ?
O53 C51 1.221(3) . ?
O54 C52 1.212(3) . ?
O61 C61 1.285(3) . ?
O62 C62 1.281(2) . ?
O63 C61 1.213(3) . ?
O64 C62 1.226(2) . ?
O71 C71 1.292(3) . ?
O72 C72 1.287(3) . ?
O73 C71 1.216(3) . ?
O74 C72 1.227(3) . ?
C51 C52 1.548(3) . ?
C61 C62 1.539(3) . ?
C71 C72 1.537(3) . ?

_cod_database_fobs_code 2108981
