#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:36:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179927 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/22/7022212.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_7022212
loop_
_publ_author_name
'Cui, Lin'
'Luan, Xin-Jun'
'Zhang, Cui-Ping'
'Kang, Yi-Fan'
'Zhang, Wen-Tao'
'Wang, Yao-Yu'
'Shi, Qi-Zhen'
_publ_section_title
;
 Four 3D "brick-wall"-like metal-organic frameworks with a
 flexible ligand of (S,S,R,R)-1,2,3,4-cyclopentanetetracarboxylic acid:
 crystal structures, luminescent and magnetic properties.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1637
_journal_page_last               1644
_journal_paper_doi               10.1039/c2dt32022c
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C15 H15 Co2 N O12'
_chemical_formula_weight         519.14
_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                94.475(2)
_cell_angle_beta                 104.722(2)
_cell_angle_gamma                114.437(2)
_cell_formula_units_Z            2
_cell_length_a                   9.1238(12)
_cell_length_b                   9.6201(13)
_cell_length_c                   12.6475(17)
_cell_measurement_reflns_used    2003
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.471
_cell_measurement_theta_min      2.584
_cell_volume                     956.1(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_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 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruck 1000 CCD area detector'
_diffrn_measurement_method       'ω 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  0.0192
_diffrn_reflns_av_sigmaI/netI    0.0417
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4785
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.801
_exptl_absorpt_correction_T_max  0.7493
_exptl_absorpt_correction_T_min  0.6140
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.028
_refine_diff_density_min         -0.429
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         3333
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0464
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1171P)²+0.3855P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1468
_refine_ls_wR_factor_ref         0.1627
_reflns_number_gt                2789
_reflns_number_total             3333
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32022c.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7022212
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
O3 O 0.1201(5) 0.2746(5) 0.1922(3) 0.0521(10) Uani 1 1 d .
O10 O 0.0682(4) 0.2353(4) 0.5689(3) 0.0434(9) Uani 1 1 d D
H10A H 0.1375 0.2943 0.5426 0.065 Uiso 1 1 calc RD
O2 O 0.4006(4) 0.2707(3) 0.5186(3) 0.0328(7) Uani 1 1 d .
C1 C 0.3297(5) 0.1513(5) 0.4410(4) 0.0279(9) Uani 1 1 d .
O4 O 0.3299(4) 0.4254(4) 0.3388(2) 0.0321(7) Uani 1 1 d .
C4 C 0.2605(5) 0.3049(5) 0.2589(4) 0.0306(10) Uani 1 1 d .
O8 O 0.7922(4) 0.3410(4) 0.5653(3) 0.0348(7) Uani 1 1 d .
O7 O 0.6931(4) 0.4744(3) 0.4568(2) 0.0292(7) Uani 1 1 d .
C9 C 0.7032(5) 0.3501(5) 0.4756(3) 0.0254(9) Uani 1 1 d .
C8 C 0.6046(5) 0.2063(5) 0.3817(4) 0.0274(9) Uani 1 1 d .
H8 H 0.6377 0.1249 0.4022 0.033 Uiso 1 1 calc R
Co1 Co 1.12792(7) 0.48609(7) 0.29804(5) 0.0275(2) Uani 1 1 d .
Co2 Co 0.5000 0.5000 0.5000 0.0246(2) Uani 1 2 d S
Co3 Co 0.0000 0.0000 0.5000 0.0312(3) Uani 1 2 d S
O1 O 0.1912(4) 0.0376(4) 0.4297(3) 0.0455(9) Uani 1 1 d .
O6 O 0.9322(4) 0.3168(4) 0.3421(3) 0.0487(9) Uani 1 1 d .
N1 N 1.2231(5) 0.6336(4) 0.1948(3) 0.0311(8) Uani 1 1 d .
O5 O 0.8601(4) 0.4516(5) 0.2277(3) 0.0509(10) Uani 1 1 d .
C3 C 0.3492(5) 0.2067(5) 0.2461(4) 0.0306(10) Uani 1 1 d .
H3 H 0.2727 0.1183 0.1835 0.037 Uiso 1 1 calc R
C5 C 0.5106(6) 0.3015(6) 0.2156(4) 0.0334(10) Uani 1 1 d .
H5A H 0.4870 0.2838 0.1352 0.040 Uiso 1 1 calc R
H5B H 0.5548 0.4123 0.2446 0.040 Uiso 1 1 calc R
C6 C 0.6363(5) 0.2420(5) 0.2701(4) 0.0293(9) Uani 1 1 d .
H6 H 0.6029 0.1417 0.2225 0.035 Uiso 1 1 calc R
C7 C 0.8188(5) 0.3442(5) 0.2803(4) 0.0317(10) Uani 1 1 d .
C15 C 1.4190(6) 0.9587(5) -0.0039(4) 0.0338(10) Uani 1 1 d .
C2 C 0.4081(5) 0.1390(5) 0.3490(4) 0.0288(9) Uani 1 1 d .
H2 H 0.3633 0.0270 0.3202 0.035 Uiso 1 1 calc R
C12 C 1.3553(6) 0.8450(5) 0.0641(4) 0.0330(10) Uani 1 1 d .
C13 C 1.4600(6) 0.8142(6) 0.1503(4) 0.0426(12) Uani 1 1 d .
H13 H 1.5770 0.8637 0.1652 0.051 Uiso 1 1 calc R
C10 C 1.1238(6) 0.6598(6) 0.1113(4) 0.0462(13) Uani 1 1 d .
H10 H 1.0072 0.6059 0.0971 0.055 Uiso 1 1 calc R
O9 O 0.1427(5) -0.0150(5) 0.6533(3) 0.0533(10) Uani 1 1 d D
H9A H 0.1312 0.0330 0.7045 0.080 Uiso 1 1 calc RD
C11 C 1.1815(6) 0.7615(7) 0.0441(4) 0.0465(13) Uani 1 1 d .
H11 H 1.1052 0.7743 -0.0140 0.056 Uiso 1 1 calc R
C14 C 1.3906(6) 0.7109(6) 0.2130(4) 0.0439(12) Uani 1 1 d .
H14 H 1.4631 0.6936 0.2709 0.053 Uiso 1 1 calc R
O11 O 0.6819(10) 0.5654(9) 0.0537(8) 0.145(3) Uani 1 1 d .
O12 O 0.0932(19) 0.1236(17) 0.8296(16) 0.185(9) Uani 0.50 1 d P
O13 O 0.0000 0.0000 0.0000 0.265(9) Uani 1 2 d SU
H15 H 1.315(2) 0.967(2) -0.071(3) 0.066(18) Uiso 1 1 d .
H9B H 0.0565 -0.1043 0.6312 0.079 Uiso 1 1 d RD
H10B H -0.0088 0.2585 0.5664 0.079 Uiso 1 1 d RD
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
C4 O3 Co1 87.8(3) . 1_455
Co3 O10 H10A 109.5 . .
Co3 O10 H10B 117.2 . .
H10A O10 H10B 111.8 . .
C1 O2 Co2 126.0(3) . .
O1 C1 O2 124.3(4) . .
O1 C1 C2 114.6(4) . .
O2 C1 C2 121.1(4) . .
C4 O4 Co2 137.7(3) . .
C4 O4 Co1 95.9(2) . 1_455
Co2 O4 Co1 120.47(14) . 1_455
O3 C4 O4 117.9(4) . .
O3 C4 C3 121.5(4) . .
O4 C4 C3 120.6(4) . .
C9 O8 Co1 117.3(3) . 2_766
C9 O7 Co2 113.9(2) . .
O8 C9 O7 123.9(4) . .
O8 C9 C8 118.6(4) . .
O7 C9 C8 117.6(4) . .
C9 C8 C6 112.0(3) . .
C9 C8 C2 114.8(3) . .
C6 C8 C2 101.9(3) . .
C9 C8 H8 109.3 . .
C6 C8 H8 109.3 . .
C2 C8 H8 109.3 . .
O8 Co1 N1 96.07(14) 2_766 .
O8 Co1 O6 96.67(15) 2_766 .
N1 Co1 O6 153.56(15) . .
O8 Co1 O4 99.63(12) 2_766 1_655
N1 Co1 O4 95.13(14) . 1_655
O6 Co1 O4 105.43(13) . 1_655
O8 Co1 O5 98.62(14) 2_766 .
N1 Co1 O5 95.27(14) . .
O6 Co1 O5 59.93(13) . .
O4 Co1 O5 157.88(14) 1_655 .
O8 Co1 O3 157.11(13) 2_766 1_655
N1 Co1 O3 92.56(15) . 1_655
O6 Co1 O3 84.50(16) . 1_655
O4 Co1 O3 58.40(12) 1_655 1_655
O5 Co1 O3 101.65(14) . 1_655
O2 Co2 O2 180.0 2_666 .
O2 Co2 O7 89.84(12) 2_666 2_666
O2 Co2 O7 90.16(12) . 2_666
O2 Co2 O7 90.16(12) 2_666 .
O2 Co2 O7 89.84(12) . .
O7 Co2 O7 180.000(1) 2_666 .
O2 Co2 O4 91.47(12) 2_666 .
O2 Co2 O4 88.53(12) . .
O7 Co2 O4 83.97(12) 2_666 .
O7 Co2 O4 96.03(12) . .
O2 Co2 O4 88.53(12) 2_666 2_666
O2 Co2 O4 91.47(12) . 2_666
O7 Co2 O4 96.03(12) 2_666 2_666
O7 Co2 O4 83.97(12) . 2_666
O4 Co2 O4 180.000(1) . 2_666
O1 Co3 O1 180.0 . 2_556
O1 Co3 O9 87.01(16) . 2_556
O1 Co3 O9 92.99(16) 2_556 2_556
O1 Co3 O9 92.99(16) . .
O1 Co3 O9 87.01(16) 2_556 .
O9 Co3 O9 180.00(15) 2_556 .
O1 Co3 O10 99.29(13) . .
O1 Co3 O10 80.71(13) 2_556 .
O9 Co3 O10 90.82(15) 2_556 .
O9 Co3 O10 89.18(15) . .
O1 Co3 O10 80.71(13) . 2_556
O1 Co3 O10 99.29(13) 2_556 2_556
O9 Co3 O10 89.18(15) 2_556 2_556
O9 Co3 O10 90.82(15) . 2_556
O10 Co3 O10 180.0 . 2_556
C1 O1 Co3 133.9(3) . .
C7 O6 Co1 93.5(3) . .
C10 N1 C14 116.9(4) . .
C10 N1 Co1 122.3(3) . .
C14 N1 Co1 120.8(3) . .
C7 O5 Co1 87.0(3) . .
C4 C3 C5 109.8(4) . .
C4 C3 C2 118.1(4) . .
C5 C3 C2 105.7(3) . .
C4 C3 H3 107.6 . .
C5 C3 H3 107.6 . .
C2 C3 H3 107.6 . .
C6 C5 C3 104.9(3) . .
C6 C5 H5A 110.8 . .
C3 C5 H5A 110.8 . .
C6 C5 H5B 110.8 . .
C3 C5 H5B 110.8 . .
H5A C5 H5B 108.8 . .
C7 C6 C5 115.5(4) . .
C7 C6 C8 114.7(4) . .
C5 C6 C8 106.1(3) . .
C7 C6 H6 106.7 . .
C5 C6 H6 106.7 . .
C8 C6 H6 106.7 . .
O5 C7 O6 119.5(4) . .
O5 C7 C6 122.1(4) . .
O6 C7 C6 118.3(4) . .
C15 C15 C12 125.6(6) 2_875 .
C15 C15 H15 120.5(13) 2_875 .
C12 C15 H15 113.8(13) . .
C1 C2 C8 118.5(4) . .
C1 C2 C3 113.4(3) . .
C8 C2 C3 107.2(3) . .
C1 C2 H2 105.6 . .
C8 C2 H2 105.6 . .
C3 C2 H2 105.6 . .
C13 C12 C11 116.5(4) . .
C13 C12 C15 123.7(4) . .
C11 C12 C15 119.8(4) . .
C14 C13 C12 120.0(5) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
N1 C10 C11 124.3(5) . .
N1 C10 H10 117.8 . .
C11 C10 H10 117.8 . .
Co3 O9 H9A 109.5 . .
Co3 O9 H9B 76.4 . .
H9A O9 H9B 107.2 . .
C10 C11 C12 119.2(5) . .
C10 C11 H11 120.4 . .
C12 C11 H11 120.4 . .
N1 C14 C13 123.0(4) . .
N1 C14 H14 118.5 . .
C13 C14 H14 118.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O3 C4 1.242(6) .
O3 Co1 2.312(4) 1_455
O10 Co3 2.127(3) .
O10 H10A 0.8200 .
O10 H10B 0.8148 .
O2 C1 1.260(5) .
O2 Co2 2.069(3) .
C1 O1 1.247(5) .
C1 C2 1.533(6) .
O4 C4 1.285(5) .
O4 Co2 2.079(3) .
O4 Co1 2.111(3) 1_455
C4 C3 1.500(6) .
O8 C9 1.249(5) .
O8 Co1 2.047(3) 2_766
O7 C9 1.272(5) .
O7 Co2 2.071(3) .
C9 C8 1.517(6) .
C8 C6 1.548(6) .
C8 C2 1.558(6) .
C8 H8 0.9800 .
Co1 O8 2.047(3) 2_766
Co1 N1 2.078(4) .
Co1 O6 2.096(3) .
Co1 O4 2.111(3) 1_655
Co1 O5 2.247(4) .
Co1 O3 2.312(4) 1_655
Co2 O2 2.069(3) 2_666
Co2 O7 2.071(3) 2_666
Co2 O4 2.079(3) 2_666
Co3 O1 2.069(3) .
Co3 O1 2.069(3) 2_556
Co3 O9 2.095(4) 2_556
Co3 O9 2.095(4) .
Co3 O10 2.127(3) 2_556
O6 C7 1.265(6) .
N1 C10 1.320(6) .
N1 C14 1.340(6) .
O5 C7 1.251(6) .
C3 C5 1.544(6) .
C3 C2 1.573(6) .
C3 H3 0.9800 .
C5 C6 1.523(6) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C7 1.507(6) .
C6 H6 0.9800 .
C15 C15 1.330(10) 2_875
C15 C12 1.466(6) .
C15 H15 1.13(3) .
C2 H2 0.9800 .
C12 C13 1.395(7) .
C12 C11 1.391(7) .
C13 C14 1.369(7) .
C13 H13 0.9300 .
C10 C11 1.374(7) .
C10 H10 0.9300 .
O9 H9A 0.8200 .
O9 H9B 0.8520 .
C11 H11 0.9300 .
C14 H14 0.9300 .
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_4
Co2 O2 C1 O1 -131.7(4) . .
Co2 O2 C1 C2 46.1(5) . .
Co1 O3 C4 O4 -2.2(4) 1_455 .
Co1 O3 C4 C3 179.0(4) 1_455 .
Co2 O4 C4 O3 152.9(4) . .
Co1 O4 C4 O3 2.4(4) 1_455 .
Co2 O4 C4 C3 -28.3(6) . .
Co1 O4 C4 C3 -178.8(3) 1_455 .
Co1 O8 C9 O7 17.5(5) 2_766 .
Co1 O8 C9 C8 -164.3(3) 2_766 .
Co2 O7 C9 O8 -90.5(4) . .
Co2 O7 C9 C8 91.2(4) . .
O8 C9 C8 C6 -128.9(4) . .
O7 C9 C8 C6 49.5(5) . .
O8 C9 C8 C2 115.5(4) . .
O7 C9 C8 C2 -66.1(5) . .
C1 O2 Co2 O2 70(100) . 2_666
C1 O2 Co2 O7 110.2(3) . 2_666
C1 O2 Co2 O7 -69.8(3) . .
C1 O2 Co2 O4 26.2(3) . .
C1 O2 Co2 O4 -153.8(3) . 2_666
C9 O7 Co2 O2 168.2(3) . 2_666
C9 O7 Co2 O2 -11.8(3) . .
C9 O7 Co2 O7 -44(100) . 2_666
C9 O7 Co2 O4 -100.4(3) . .
C9 O7 Co2 O4 79.6(3) . 2_666
C4 O4 Co2 O2 145.9(4) . 2_666
Co1 O4 Co2 O2 -68.71(18) 1_455 2_666
C4 O4 Co2 O2 -34.1(4) . .
Co1 O4 Co2 O2 111.29(18) 1_455 .
C4 O4 Co2 O7 -124.4(4) . 2_666
Co1 O4 Co2 O7 20.97(17) 1_455 2_666
C4 O4 Co2 O7 55.6(4) . .
Co1 O4 Co2 O7 -159.03(17) 1_455 .
C4 O4 Co2 O4 -60(100) . 2_666
Co1 O4 Co2 O4 86(100) 1_455 2_666
O2 C1 O1 Co3 13.1(7) . .
C2 C1 O1 Co3 -164.7(3) . .
O1 Co3 O1 C1 -141(100) 2_556 .
O9 Co3 O1 C1 105.8(5) 2_556 .
O9 Co3 O1 C1 -74.2(5) . .
O10 Co3 O1 C1 15.5(5) . .
O10 Co3 O1 C1 -164.5(5) 2_556 .
O8 Co1 O6 C7 97.8(3) 2_766 .
N1 Co1 O6 C7 -20.5(5) . .
O4 Co1 O6 C7 -160.2(3) 1_655 .
O5 Co1 O6 C7 1.7(3) . .
O3 Co1 O6 C7 -105.2(3) 1_655 .
O8 Co1 N1 C10 -107.1(4) 2_766 .
O6 Co1 N1 C10 11.3(6) . .
O4 Co1 N1 C10 152.6(4) 1_655 .
O5 Co1 N1 C10 -7.8(4) . .
O3 Co1 N1 C10 94.1(4) 1_655 .
O8 Co1 N1 C14 70.6(4) 2_766 .
O6 Co1 N1 C14 -170.9(4) . .
O4 Co1 N1 C14 -29.6(4) 1_655 .
O5 Co1 N1 C14 169.9(4) . .
O3 Co1 N1 C14 -88.1(4) 1_655 .
O8 Co1 O5 C7 -94.5(3) 2_766 .
N1 Co1 O5 C7 168.5(3) . .
O6 Co1 O5 C7 -1.7(3) . .
O4 Co1 O5 C7 50.8(5) 1_655 .
O3 Co1 O5 C7 74.8(3) 1_655 .
O3 C4 C3 C5 112.4(5) . .
O4 C4 C3 C5 -66.4(5) . .
O3 C4 C3 C2 -126.4(5) . .
O4 C4 C3 C2 54.8(6) . .
C4 C3 C5 C6 147.3(4) . .
C2 C3 C5 C6 18.9(4) . .
C3 C5 C6 C7 -163.9(4) . .
C3 C5 C6 C8 -35.6(4) . .
C9 C8 C6 C7 42.9(5) . .
C2 C8 C6 C7 166.1(4) . .
C9 C8 C6 C5 -85.9(4) . .
C2 C8 C6 C5 37.4(4) . .
Co1 O5 C7 O6 2.9(4) . .
Co1 O5 C7 C6 -175.3(4) . .
Co1 O6 C7 O5 -3.1(5) . .
Co1 O6 C7 C6 175.2(3) . .
C5 C6 C7 O5 -14.4(6) . .
C8 C6 C7 O5 -138.3(5) . .
C5 C6 C7 O6 167.4(4) . .
C8 C6 C7 O6 43.5(6) . .
O1 C1 C2 C8 -144.1(4) . .
O2 C1 C2 C8 37.9(6) . .
O1 C1 C2 C3 88.8(5) . .
O2 C1 C2 C3 -89.1(5) . .
C9 C8 C2 C1 -33.6(5) . .
C6 C8 C2 C1 -154.9(4) . .
C9 C8 C2 C3 96.3(4) . .
C6 C8 C2 C3 -24.9(4) . .
C4 C3 C2 C1 13.6(5) . .
C5 C3 C2 C1 136.9(4) . .
C4 C3 C2 C8 -119.1(4) . .
C5 C3 C2 C8 4.2(5) . .
C15 C15 C12 C13 2.9(9) 2_875 .
C15 C15 C12 C11 -177.3(6) 2_875 .
C11 C12 C13 C14 -2.6(8) . .
C15 C12 C13 C14 177.2(5) . .
C14 N1 C10 C11 -0.9(8) . .
Co1 N1 C10 C11 177.0(5) . .
N1 C10 C11 C12 -0.6(9) . .
C13 C12 C11 C10 2.3(8) . .
C15 C12 C11 C10 -177.5(5) . .
C10 N1 C14 C13 0.6(8) . .
Co1 N1 C14 C13 -177.3(4) . .
C12 C13 C14 N1 1.2(9) . .
