#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:12:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180381 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/50/7205047.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_7205047
loop_
_publ_author_name
'Yang, En-Cui'
'Feng, Yan'
'Liu, Zhong-Yi'
'Liu, Tian-Yu'
'Zhao, Xiao-Jun'
_publ_section_title
;
 Diverse mixed-ligand metal complexes with in situ generated
 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis,
 crystal structures, magnetic and luminescent properties
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              230
_journal_paper_doi               10.1039/c000586j
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C20 H26 Co3 N12 O17'
_chemical_formula_weight         883.32
_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                109.8460(10)
_cell_angle_beta                 92.6510(10)
_cell_angle_gamma                106.7250(10)
_cell_formula_units_Z            1
_cell_length_a                   8.2152(4)
_cell_length_b                   8.9387(4)
_cell_length_c                   12.3961(5)
_cell_measurement_reflns_used    3544
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.91
_cell_measurement_theta_min      2.52
_cell_volume                     809.46(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0107
_diffrn_reflns_av_sigmaI/netI    0.0205
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4127
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    1.614
_exptl_absorpt_correction_T_max  0.7178
_exptl_absorpt_correction_T_min  0.6980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            ORANGE
_exptl_crystal_density_diffrn    1.812
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             447
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.447
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     241
_refine_ls_number_reflns         2823
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0280
_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)+(0.0306P)²+1.3841P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0743
_reflns_number_gt                2569
_reflns_number_total             2823
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C000586J.TXT
_cod_data_source_block           81129a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7205047
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.5000 0.5000 0.5000 0.01491(13) Uani 1 2 d S . .
Co2 Co -0.03208(4) 0.94415(4) 0.82077(3) 0.01777(11) Uani 1 1 d . . .
O1 O 0.3440(4) 0.3065(3) 0.7148(3) 0.0666(9) Uani 1 1 d . . .
O2 O 0.5482(2) 0.4415(2) 0.64035(14) 0.0199(4) Uani 1 1 d . . .
O3 O 0.2935(2) 0.2821(2) 0.42942(15) 0.0215(4) Uani 1 1 d . . .
O4 O 0.1617(2) 0.0193(2) 0.31100(15) 0.0234(4) Uani 1 1 d . . .
O5 O -0.2009(3) 0.7123(2) 0.80401(17) 0.0358(5) Uani 1 1 d . . .
H5A H -0.2654 0.6411 0.7413 0.054 Uiso 1 1 d R . .
H5B H -0.2217 0.6961 0.8663 0.054 Uiso 1 1 d R . .
O6 O 0.1558(3) 1.1700(3) 0.84673(19) 0.0401(5) Uani 1 1 d . . .
H6A H 0.2004 1.1843 0.7890 0.060 Uiso 1 1 d R . .
H6B H 0.2198 1.2191 0.9128 0.060 Uiso 1 1 d R . .
N1 N 0.1340(3) 0.9088(3) 0.94194(17) 0.0192(4) Uani 1 1 d . . .
N2 N 0.1666(3) 0.9365(3) 1.05488(18) 0.0217(5) Uani 1 1 d . . .
N3 N 0.2904(3) 0.8778(3) 1.0732(2) 0.0346(6) Uani 1 1 d . . .
N4 N 0.3400(3) 0.8094(3) 0.9715(2) 0.0338(6) Uani 1 1 d . . .
N5 N 0.1209(3) 0.8084(3) 0.70896(19) 0.0246(5) Uani 1 1 d . . .
N6 N 0.3280(3) 0.6296(3) 0.59386(18) 0.0198(4) Uani 1 1 d . . .
C1 C 0.2416(3) 0.8301(3) 0.8932(2) 0.0210(5) Uani 1 1 d . . .
C2 C 0.2377(3) 0.7732(3) 0.7675(2) 0.0215(5) Uani 1 1 d . . .
C3 C 0.1082(4) 0.7532(4) 0.5938(2) 0.0276(6) Uani 1 1 d . . .
H3 H 0.0290 0.7760 0.5510 0.033 Uiso 1 1 calc R . .
C4 C 0.2101(3) 0.6626(3) 0.5362(2) 0.0233(5) Uani 1 1 d . . .
H4 H 0.1960 0.6239 0.4556 0.028 Uiso 1 1 calc R . .
C5 C 0.3415(3) 0.6852(3) 0.7096(2) 0.0220(5) Uani 1 1 d . . .
H5 H 0.4227 0.6645 0.7523 0.026 Uiso 1 1 calc R . .
C6 C 0.4669(3) 0.1453(3) 0.5688(2) 0.0173(5) Uani 1 1 d . . .
C7 C 0.3920(3) 0.0649(3) 0.4514(2) 0.0173(5) Uani 1 1 d . . .
C8 C 0.5730(3) 0.0794(3) 0.6158(2) 0.0185(5) Uani 1 1 d . . .
H8 H 0.6219 0.1328 0.6938 0.022 Uiso 1 1 calc R . .
C9 C 0.4483(3) 0.3083(3) 0.6472(2) 0.0218(5) Uani 1 1 d . . .
C10 C 0.2750(3) 0.1279(3) 0.3938(2) 0.0169(5) Uani 1 1 d . . .
O7 O -0.0092(5) 0.3251(5) 0.6876(4) 0.1052(14) Uani 1 1 d . . .
H7A H -0.0650 0.2323 0.6927 0.158 Uiso 1 1 d R . .
H7B H 0.0980 0.3644 0.7139 0.158 Uiso 1 1 d R . .
O8 O 0.4186(4) 0.3558(4) 0.0304(2) 0.0759(10) Uani 1 1 d . . .
H8A H 0.4630 0.2775 0.0148 0.114 Uiso 1 1 d R . .
H8B H 0.4875 0.4561 0.0578 0.114 Uiso 1 1 d R . .
O9 O 0.9036(11) 0.5005(8) 0.8955(8) 0.101(2) Uani 0.50 1 d P . .
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'
Co Co 0.3494 0.9721 '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
O2 Co1 O2 180.0 . 2_666 ?
O2 Co1 O3 90.84(7) . . ?
O2 Co1 O3 89.16(7) 2_666 . ?
O2 Co1 O3 89.16(7) . 2_666 ?
O2 Co1 O3 90.83(7) 2_666 2_666 ?
O3 Co1 O3 180.0 . 2_666 ?
O2 Co1 N6 88.33(7) . . ?
O2 Co1 N6 91.67(7) 2_666 . ?
O3 Co1 N6 89.45(7) . . ?
O3 Co1 N6 90.55(7) 2_666 . ?
O2 Co1 N6 91.67(7) . 2_666 ?
O2 Co1 N6 88.33(7) 2_666 2_666 ?
O3 Co1 N6 90.55(7) . 2_666 ?
O3 Co1 N6 89.44(7) 2_666 2_666 ?
N6 Co1 N6 180.0 . 2_666 ?
O6 Co2 O5 173.97(9) . . ?
O6 Co2 O4 87.59(8) . 2_566 ?
O5 Co2 O4 98.11(8) . 2_566 ?
O6 Co2 N2 92.02(9) . 2_577 ?
O5 Co2 N2 89.78(9) . 2_577 ?
O4 Co2 N2 91.96(8) 2_566 2_577 ?
O6 Co2 N1 87.73(8) . . ?
O5 Co2 N1 86.36(8) . . ?
O4 Co2 N1 171.17(8) 2_566 . ?
N2 Co2 N1 95.68(8) 2_577 . ?
O6 Co2 N5 89.81(9) . . ?
O5 Co2 N5 87.66(9) . . ?
O4 Co2 N5 95.68(8) 2_566 . ?
N2 Co2 N5 172.22(8) 2_577 . ?
N1 Co2 N5 76.83(8) . . ?
C9 O2 Co1 118.75(16) . . ?
C10 O3 Co1 135.00(16) . . ?
C10 O4 Co2 127.69(16) . 2_566 ?
Co2 O5 H5A 124.6 . . ?
Co2 O5 H5B 117.0 . . ?
H5A O5 H5B 117.2 . . ?
Co2 O6 H6A 118.7 . . ?
Co2 O6 H6B 116.5 . . ?
H6A O6 H6B 117.0 . . ?
C1 N1 N2 105.0(2) . . ?
C1 N1 Co2 113.82(16) . . ?
N2 N1 Co2 141.20(16) . . ?
N3 N2 N1 109.6(2) . . ?
N3 N2 Co2 127.29(17) . 2_577 ?
N1 N2 Co2 123.12(15) . 2_577 ?
N2 N3 N4 108.8(2) . . ?
C1 N4 N3 105.2(2) . . ?
C3 N5 C2 117.2(2) . . ?
C3 N5 Co2 128.90(18) . . ?
C2 N5 Co2 113.88(17) . . ?
C4 N6 C5 117.0(2) . . ?
C4 N6 Co1 120.45(17) . . ?
C5 N6 Co1 122.43(16) . . ?
N1 C1 N4 111.5(2) . . ?
N1 C1 C2 120.4(2) . . ?
N4 C1 C2 128.1(2) . . ?
N5 C2 C5 121.0(2) . . ?
N5 C2 C1 115.1(2) . . ?
C5 C2 C1 123.9(2) . . ?
N5 C3 C4 121.6(2) . . ?
N5 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
N6 C4 C3 121.5(2) . . ?
N6 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
N6 C5 C2 121.7(2) . . ?
N6 C5 H5 119.2 . . ?
C2 C5 H5 119.2 . . ?
C8 C6 C7 119.5(2) . . ?
C8 C6 C9 116.8(2) . . ?
C7 C6 C9 123.5(2) . . ?
C8 C7 C6 119.0(2) 2_656 . ?
C8 C7 C10 118.1(2) 2_656 . ?
C6 C7 C10 122.8(2) . . ?
C6 C8 C7 121.5(2) . 2_656 ?
C6 C8 H8 119.3 . . ?
C7 C8 H8 119.3 2_656 . ?
O1 C9 O2 124.0(2) . . ?
O1 C9 C6 119.7(2) . . ?
O2 C9 C6 116.3(2) . . ?
O4 C10 O3 123.5(2) . . ?
O4 C10 C7 116.6(2) . . ?
O3 C10 C7 119.9(2) . . ?
H7A O7 H7B 117.0 . . ?
H8A O8 H8B 117.0 . . ?
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 O2 2.0321(16) . ?
Co1 O2 2.0321(16) 2_666 ?
Co1 O3 2.0594(17) . ?
Co1 O3 2.0595(17) 2_666 ?
Co1 N6 2.207(2) . ?
Co1 N6 2.207(2) 2_666 ?
Co2 O6 2.069(2) . ?
Co2 O5 2.071(2) . ?
Co2 O4 2.0762(17) 2_566 ?
Co2 N2 2.110(2) 2_577 ?
Co2 N1 2.145(2) . ?
Co2 N5 2.207(2) . ?
O1 C9 1.226(3) . ?
O2 C9 1.269(3) . ?
O3 C10 1.256(3) . ?
O4 C10 1.256(3) . ?
O4 Co2 2.0761(17) 2_566 ?
O5 H5A 0.8499 . ?
O5 H5B 0.8492 . ?
O6 H6A 0.8501 . ?
O6 H6B 0.8501 . ?
N1 C1 1.327(3) . ?
N1 N2 1.336(3) . ?
N2 N3 1.315(3) . ?
N2 Co2 2.110(2) 2_577 ?
N3 N4 1.341(3) . ?
N4 C1 1.328(3) . ?
N5 C3 1.330(3) . ?
N5 C2 1.346(3) . ?
N6 C4 1.334(3) . ?
N6 C5 1.336(3) . ?
C1 C2 1.462(4) . ?
C2 C5 1.385(4) . ?
C3 C4 1.386(4) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C8 1.389(3) . ?
C6 C7 1.401(3) . ?
C6 C9 1.508(3) . ?
C7 C8 1.395(3) 2_656 ?
C7 C10 1.508(3) . ?
C8 C7 1.395(3) 2_656 ?
C8 H8 0.9300 . ?
O7 H7A 0.8501 . ?
O7 H7B 0.8504 . ?
O8 H8A 0.8502 . ?
O8 H8B 0.8500 . ?
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
O2 Co1 O2 C9 -162(4) 2_666 . . . ?
O3 Co1 O2 C9 -2.15(18) . . . . ?
O3 Co1 O2 C9 177.86(18) 2_666 . . . ?
N6 Co1 O2 C9 87.28(18) . . . . ?
N6 Co1 O2 C9 -92.72(18) 2_666 . . . ?
O2 Co1 O3 C10 -63.4(2) . . . . ?
O2 Co1 O3 C10 116.6(2) 2_666 . . . ?
O3 Co1 O3 C10 59(15) 2_666 . . . ?
N6 Co1 O3 C10 -151.7(2) . . . . ?
N6 Co1 O3 C10 28.3(2) 2_666 . . . ?
O6 Co2 N1 C1 -89.43(19) . . . . ?
O5 Co2 N1 C1 89.35(19) . . . . ?
O4 Co2 N1 C1 -31.5(6) 2_566 . . . ?
N2 Co2 N1 C1 178.76(18) 2_577 . . . ?
N5 Co2 N1 C1 0.91(18) . . . . ?
O6 Co2 N1 N2 92.6(3) . . . . ?
O5 Co2 N1 N2 -88.6(3) . . . . ?
O4 Co2 N1 N2 150.5(4) 2_566 . . . ?
N2 Co2 N1 N2 0.8(3) 2_577 . . . ?
N5 Co2 N1 N2 -177.1(3) . . . . ?
C1 N1 N2 N3 0.5(3) . . . . ?
Co2 N1 N2 N3 178.6(2) . . . . ?
C1 N1 N2 Co2 -179.01(17) . . . 2_577 ?
Co2 N1 N2 Co2 -0.9(4) . . . 2_577 ?
N1 N2 N3 N4 -0.4(3) . . . . ?
Co2 N2 N3 N4 179.13(19) 2_577 . . . ?
N2 N3 N4 C1 0.1(3) . . . . ?
O6 Co2 N5 C3 -95.5(3) . . . . ?
O5 Co2 N5 C3 89.9(3) . . . . ?
O4 Co2 N5 C3 -8.0(3) 2_566 . . . ?
N2 Co2 N5 C3 160.8(6) 2_577 . . . ?
N1 Co2 N5 C3 176.8(3) . . . . ?
O6 Co2 N5 C2 87.12(19) . . . . ?
O5 Co2 N5 C2 -87.40(19) . . . . ?
O4 Co2 N5 C2 174.67(19) 2_566 . . . ?
N2 Co2 N5 C2 -16.5(7) 2_577 . . . ?
N1 Co2 N5 C2 -0.59(18) . . . . ?
O2 Co1 N6 C4 -161.1(2) . . . . ?
O2 Co1 N6 C4 18.9(2) 2_666 . . . ?
O3 Co1 N6 C4 -70.2(2) . . . . ?
O3 Co1 N6 C4 109.8(2) 2_666 . . . ?
N6 Co1 N6 C4 73(13) 2_666 . . . ?
O2 Co1 N6 C5 22.2(2) . . . . ?
O2 Co1 N6 C5 -157.8(2) 2_666 . . . ?
O3 Co1 N6 C5 113.0(2) . . . . ?
O3 Co1 N6 C5 -67.0(2) 2_666 . . . ?
N6 Co1 N6 C5 -104(13) 2_666 . . . ?
N2 N1 C1 N4 -0.5(3) . . . . ?
Co2 N1 C1 N4 -179.20(19) . . . . ?
N2 N1 C1 C2 177.6(2) . . . . ?
Co2 N1 C1 C2 -1.1(3) . . . . ?
N3 N4 C1 N1 0.3(3) . . . . ?
N3 N4 C1 C2 -177.6(3) . . . . ?
C3 N5 C2 C5 0.9(4) . . . . ?
Co2 N5 C2 C5 178.6(2) . . . . ?
C3 N5 C2 C1 -177.5(2) . . . . ?
Co2 N5 C2 C1 0.2(3) . . . . ?
N1 C1 C2 N5 0.6(4) . . . . ?
N4 C1 C2 N5 178.3(3) . . . . ?
N1 C1 C2 C5 -177.7(2) . . . . ?
N4 C1 C2 C5 0.0(5) . . . . ?
C2 N5 C3 C4 0.3(4) . . . . ?
Co2 N5 C3 C4 -177.0(2) . . . . ?
C5 N6 C4 C3 1.1(4) . . . . ?
Co1 N6 C4 C3 -175.8(2) . . . . ?
N5 C3 C4 N6 -1.4(4) . . . . ?
C4 N6 C5 C2 0.1(4) . . . . ?
Co1 N6 C5 C2 176.98(19) . . . . ?
N5 C2 C5 N6 -1.2(4) . . . . ?
C1 C2 C5 N6 177.1(2) . . . . ?
C8 C6 C7 C8 -0.4(4) . . . 2_656 ?
C9 C6 C7 C8 175.5(2) . . . 2_656 ?
C8 C6 C7 C10 179.9(2) . . . . ?
C9 C6 C7 C10 -4.2(4) . . . . ?
C7 C6 C8 C7 0.4(4) . . . 2_656 ?
C9 C6 C8 C7 -175.8(2) . . . 2_656 ?
Co1 O2 C9 O1 -107.4(3) . . . . ?
Co1 O2 C9 C6 74.6(2) . . . . ?
C8 C6 C9 O1 -83.4(3) . . . . ?
C7 C6 C9 O1 100.6(3) . . . . ?
C8 C6 C9 O2 94.6(3) . . . . ?
C7 C6 C9 O2 -81.4(3) . . . . ?
Co2 O4 C10 O3 21.4(3) 2_566 . . . ?
Co2 O4 C10 C7 -158.78(16) 2_566 . . . ?
Co1 O3 C10 O4 -147.0(2) . . . . ?
Co1 O3 C10 C7 33.3(3) . . . . ?
C8 C7 C10 O4 29.8(3) 2_656 . . . ?
C6 C7 C10 O4 -150.4(2) . . . . ?
C8 C7 C10 O3 -150.4(2) 2_656 . . . ?
C6 C7 C10 O3 29.4(4) . . . . ?
