#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/89/4508970.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_4508970
loop_
_publ_author_name
'Ma, Yu'
'Cheng, Ai-Ling'
'Zhang, Jian-Yong'
'Yue, Qi'
'Gao, En-Qing'
_publ_section_title
;
 One-, Two-, and Three-Dimensional Coordination Polymers of
 Stilbenedicarboxylate with Different Metal Ions
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              867
_journal_paper_doi               10.1021/cg800506g
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C28.5 H22.5 Co N2.5 O4'
_chemical_formula_weight         522.92
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.61(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.384(6)
_cell_length_b                   8.2869(17)
_cell_length_c                   21.465(4)
_cell_measurement_reflns_used    21507
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      3.395
_cell_volume                     5190(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0637
_diffrn_reflns_av_sigmaI/netI    0.1103
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            9670
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         3.43
_diffrn_standards_decay_%        2.5
_exptl_absorpt_coefficient_mu    0.698
_exptl_absorpt_correction_T_max  0.9025
_exptl_absorpt_correction_T_min  0.8178
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.401
_refine_diff_density_min         -0.540
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.870
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         5104
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      0.885
_refine_ls_R_factor_all          0.1174
_refine_ls_R_factor_gt           0.0491
_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)+(0.0728P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1108
_refine_ls_wR_factor_ref         0.1291
_reflns_number_gt                2729
_reflns_number_total             5104
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg800506gsup2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        5190.2(18)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C28.50 H22.50 Co N2.50 O4'
_cod_database_code               4508970
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.298761(15) 0.27535(6) 0.10620(2) 0.03500(18) Uani 1 1 d . . .
N1 N 0.32442(11) 0.4763(4) 0.06369(14) 0.0454(8) Uani 1 1 d . . .
N2 N 0.28593(10) 0.0484(4) 0.14624(13) 0.0418(8) Uani 1 1 d . . .
O1 O 0.37033(8) 0.2369(3) 0.17700(12) 0.0511(7) Uani 1 1 d . . .
O2 O 0.32099(9) 0.3825(3) 0.20369(11) 0.0464(6) Uani 1 1 d . . .
O3 O 0.29480(7) 0.1469(3) 0.02506(11) 0.0401(6) Uani 1 1 d . . .
O4 O 0.26707(8) 0.1526(3) -0.08635(11) 0.0429(6) Uani 1 1 d . . .
C1 C 0.36066(13) 0.3228(5) 0.21859(18) 0.0453(10) Uani 1 1 d . . .
C2 C 0.39672(13) 0.3601(5) 0.28533(17) 0.0476(10) Uani 1 1 d . . .
C3 C 0.44098(15) 0.3040(5) 0.3015(2) 0.0673(13) Uani 1 1 d . . .
H3A H 0.4483 0.2422 0.2708 0.081 Uiso 1 1 calc R . .
C4 C 0.38649(15) 0.4544(5) 0.33075(19) 0.0644(12) Uani 1 1 d . . .
H4A H 0.3571 0.4953 0.3200 0.077 Uiso 1 1 calc R . .
C5 C 0.47418(16) 0.3388(6) 0.3628(2) 0.0784(15) Uani 1 1 d . . .
H5A H 0.5038 0.3002 0.3727 0.094 Uiso 1 1 calc R . .
C6 C 0.42070(16) 0.4886(6) 0.3934(2) 0.0728(14) Uani 1 1 d . . .
H6A H 0.4137 0.5519 0.4242 0.087 Uiso 1 1 calc R . .
C7 C 0.46468(15) 0.4290(6) 0.4097(2) 0.0656(12) Uani 1 1 d . . .
C8 C 0.50122(17) 0.4574(6) 0.4757(2) 0.0767(14) Uani 1 1 d . . .
H8A H 0.5292 0.4079 0.4829 0.092 Uiso 1 1 calc R . .
C9 C 0.29975(11) 0.1426(4) -0.03084(17) 0.0341(8) Uani 1 1 d . . .
C10 C 0.34689(11) 0.1151(4) -0.03011(17) 0.0356(8) Uani 1 1 d . . .
C11 C 0.35453(12) 0.0938(5) -0.08905(19) 0.0517(11) Uani 1 1 d . . .
H11A H 0.3302 0.1015 -0.1300 0.062 Uiso 1 1 calc R . .
C12 C 0.38346(12) 0.1029(4) 0.02985(18) 0.0449(10) Uani 1 1 d . . .
H12A H 0.3787 0.1185 0.0697 0.054 Uiso 1 1 calc R . .
C13 C 0.39833(14) 0.0609(5) -0.0872(2) 0.0601(12) Uani 1 1 d . . .
H13A H 0.4030 0.0480 -0.1272 0.072 Uiso 1 1 calc R . .
C14 C 0.42683(12) 0.0682(5) 0.03205(19) 0.0510(10) Uani 1 1 d . . .
H14A H 0.4508 0.0589 0.0733 0.061 Uiso 1 1 calc R . .
C15 C 0.43548(13) 0.0466(5) -0.0268(2) 0.0505(10) Uani 1 1 d . . .
C16 C 0.48133(12) 0.0110(5) -0.0266(2) 0.0566(11) Uani 1 1 d . . .
H16A H 0.4842 0.0031 -0.0681 0.068 Uiso 1 1 calc R . .
C17 C 0.29754(16) 0.5646(6) 0.0144(2) 0.0701(13) Uani 1 1 d . . .
H17A H 0.2661 0.5516 0.0020 0.084 Uiso 1 1 calc R . .
C18 C 0.3129(2) 0.6764(6) -0.0206(2) 0.0836(16) Uani 1 1 d . . .
H18A H 0.2920 0.7352 -0.0553 0.100 Uiso 1 1 calc R . .
C19 C 0.3574(2) 0.6990(6) -0.0042(3) 0.0810(16) Uani 1 1 d . . .
H19A H 0.3685 0.7715 -0.0277 0.097 Uiso 1 1 calc R . .
C20 C 0.38681(19) 0.6123(7) 0.0485(3) 0.0995(19) Uani 1 1 d . . .
H20A H 0.4183 0.6274 0.0624 0.119 Uiso 1 1 calc R . .
C21 C 0.36915(16) 0.5028(6) 0.0807(3) 0.0780(14) Uani 1 1 d . . .
H21A H 0.3895 0.4443 0.1162 0.094 Uiso 1 1 calc R . .
C22 C 0.25531(14) 0.0284(5) 0.1753(2) 0.0570(11) Uani 1 1 d . . .
H22A H 0.2371 0.1158 0.1768 0.068 Uiso 1 1 calc R . .
C23 C 0.24944(17) -0.1143(6) 0.2029(2) 0.0780(15) Uani 1 1 d . . .
H23A H 0.2277 -0.1234 0.2226 0.094 Uiso 1 1 calc R . .
C24 C 0.27599(19) -0.2436(5) 0.2012(2) 0.0804(16) Uani 1 1 d . . .
H24A H 0.2727 -0.3420 0.2197 0.096 Uiso 1 1 calc R . .
C25 C 0.30725(18) -0.2250(5) 0.1718(2) 0.0711(14) Uani 1 1 d . . .
H25A H 0.3256 -0.3112 0.1696 0.085 Uiso 1 1 calc R . .
C26 C 0.31146(14) -0.0797(5) 0.1457(2) 0.0572(12) Uani 1 1 d . . .
H26A H 0.3334 -0.0687 0.1263 0.069 Uiso 1 1 calc R . .
C29 C 0.5000 0.985(2) 0.2500 0.468(19) Uiso 1 2 d SD . .
H29A H 0.5000 1.0977 0.2500 0.562 Uiso 1 2 calc SR A 1
N3 N 0.5000 0.6621(17) 0.2500 0.313(9) Uiso 1 2 d SD . .
C27 C 0.4825(5) 0.7432(18) 0.2908(6) 0.158(7) Uiso 0.50 1 d PD B 1
H27A H 0.4685 0.6876 0.3158 0.190 Uiso 0.50 1 calc PR B 1
C28 C 0.4859(5) 0.9013(18) 0.2940(6) 0.201(8) Uiso 0.50 1 d PD B 1
H28A H 0.4786 0.9568 0.3265 0.241 Uiso 0.50 1 calc PR B 1
C28' C 0.4582(3) 0.9025(15) 0.2308(7) 0.188(10) Uani 0.50 1 d PD B 2
H28C H 0.4306 0.9585 0.2158 0.226 Uiso 0.50 1 calc PR B 2
C27' C 0.4587(3) 0.7496(17) 0.2343(8) 0.181(8) Uani 0.50 1 d PD B 2
H27C H 0.4314 0.6942 0.2264 0.217 Uiso 0.50 1 calc PR B 2
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
O3 Co1 O4 103.88(10) . 7
O3 Co1 O2 164.39(10) . .
O4 Co1 O2 91.33(10) 7 .
O3 Co1 N2 85.57(10) . .
O4 Co1 N2 90.86(11) 7 .
O2 Co1 N2 90.78(10) . .
O3 Co1 N1 87.49(10) . .
O4 Co1 N1 100.96(11) 7 .
O2 Co1 N1 93.12(10) . .
N2 Co1 N1 167.45(11) . .
O3 Co1 O1 103.98(9) . .
O4 Co1 O1 151.13(10) 7 .
O2 Co1 O1 60.49(9) . .
N2 Co1 O1 83.86(10) . .
N1 Co1 O1 87.70(11) . .
O3 Co1 C1 134.15(11) . .
O4 Co1 C1 121.41(12) 7 .
O2 Co1 C1 30.30(10) . .
N2 Co1 C1 86.90(11) . .
N1 Co1 C1 90.46(12) . .
O1 Co1 C1 30.19(11) . .
C17 N1 C21 115.5(4) . .
C17 N1 Co1 122.4(3) . .
C21 N1 Co1 121.6(3) . .
C26 N2 C22 116.4(3) . .
C26 N2 Co1 119.2(2) . .
C22 N2 Co1 124.3(3) . .
C1 O1 Co1 87.5(2) . .
C1 O2 Co1 91.2(2) . .
C9 O3 Co1 148.0(2) . .
C9 O4 Co1 128.9(2) . 7
O1 C1 O2 120.7(3) . .
O1 C1 C2 120.0(4) . .
O2 C1 C2 119.2(3) . .
O1 C1 Co1 62.26(18) . .
O2 C1 Co1 58.48(18) . .
C2 C1 Co1 177.0(3) . .
C4 C2 C3 119.2(4) . .
C4 C2 C1 120.3(4) . .
C3 C2 C1 120.5(4) . .
C5 C3 C2 120.5(4) . .
C5 C3 H3A 119.7 . .
C2 C3 H3A 119.7 . .
C2 C4 C6 119.8(4) . .
C2 C4 H4A 120.1 . .
C6 C4 H4A 120.1 . .
C7 C5 C3 121.5(4) . .
C7 C5 H5A 119.2 . .
C3 C5 H5A 119.2 . .
C7 C6 C4 120.5(4) . .
C7 C6 H6A 119.8 . .
C4 C6 H6A 119.8 . .
C5 C7 C6 118.4(4) . .
C5 C7 C8 119.2(4) . .
C6 C7 C8 122.3(4) . .
C8 C8 C7 127.5(6) 5_666 .
C8 C8 H8A 116.3 5_666 .
C7 C8 H8A 116.3 . .
O4 C9 O3 123.7(3) . .
O4 C9 C10 118.7(3) . .
O3 C9 C10 117.5(3) . .
C12 C10 C11 118.7(3) . .
C12 C10 C9 120.2(3) . .
C11 C10 C9 121.0(3) . .
C13 C11 C10 120.1(4) . .
C13 C11 H11A 119.9 . .
C10 C11 H11A 119.9 . .
C10 C12 C14 121.4(3) . .
C10 C12 H12A 119.3 . .
C14 C12 H12A 119.3 . .
C11 C13 C15 121.6(3) . .
C11 C13 H13A 119.2 . .
C15 C13 H13A 119.2 . .
C12 C14 C15 121.0(4) . .
C12 C14 H14A 119.5 . .
C15 C14 H14A 119.5 . .
C14 C15 C13 117.1(3) . .
C14 C15 C16 122.7(4) . .
C13 C15 C16 120.2(3) . .
C16 C16 C15 126.2(5) 5_655 .
C16 C16 H16A 116.9 5_655 .
C15 C16 H16A 116.9 . .
N1 C17 C18 124.3(4) . .
N1 C17 H17A 117.9 . .
C18 C17 H17A 117.9 . .
C19 C18 C17 119.7(5) . .
C19 C18 H18A 120.2 . .
C17 C18 H18A 120.2 . .
C18 C19 C20 117.9(5) . .
C18 C19 H19A 121.0 . .
C20 C19 H19A 121.0 . .
C19 C20 C21 119.2(5) . .
C19 C20 H20A 120.4 . .
C21 C20 H20A 120.4 . .
N1 C21 C20 123.4(5) . .
N1 C21 H21A 118.3 . .
C20 C21 H21A 118.3 . .
N2 C22 C23 123.1(4) . .
N2 C22 H22A 118.5 . .
C23 C22 H22A 118.5 . .
C22 C23 C24 119.1(4) . .
C22 C23 H23A 120.5 . .
C24 C23 H23A 120.5 . .
C25 C24 C23 118.5(4) . .
C25 C24 H24A 120.8 . .
C23 C24 H24A 120.8 . .
C24 C25 C26 119.4(4) . .
C24 C25 H25A 120.3 . .
C26 C25 H25A 120.3 . .
N2 C26 C25 123.6(4) . .
N2 C26 H26A 118.2 . .
C25 C26 H26A 118.2 . .
C28 C29 C28 119.0(15) 2_655 .
C28 C29 C28' 93.0(9) 2_655 .
C28 C29 C28' 56.5(8) . .
C28 C29 C28' 56.5(8) 2_655 2_655
C28 C29 C28' 93.0(9) . 2_655
C28' C29 C28' 121.2(13) . 2_655
C28 C29 H29A 120.5 2_655 .
C28 C29 H29A 120.5 . .
C28' C29 H29A 119.4 . .
C28' C29 H29A 119.4 2_655 .
C27 N3 C27 121.2(14) . 2_655
C27 N3 C27' 98.3(9) . 2_655
C27 N3 C27' 49.6(7) 2_655 2_655
C27 N3 C27' 49.6(7) . .
C27 N3 C27' 98.3(9) 2_655 .
C27' N3 C27' 118.3(13) 2_655 .
C28 C27 N3 118.6(9) . .
C28 C27 H27A 120.7 . .
N3 C27 H27A 120.7 . .
C27 C28 C29 120.7(10) . .
C27 C28 H28A 119.7 . .
C29 C28 H28A 119.7 . .
C27' C28' C29 118.9(9) . .
C27' C28' H28C 120.6 . .
C29 C28' H28C 120.6 . .
C28' C27' N3 121.0(9) . .
C28' C27' H27C 119.5 . .
N3 C27' H27C 119.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O3 2.005(2) .
Co1 O4 2.039(2) 7
Co1 O2 2.140(2) .
Co1 N2 2.166(3) .
Co1 N1 2.190(3) .
Co1 O1 2.223(3) .
Co1 C1 2.509(4) .
N1 C17 1.308(5) .
N1 C21 1.332(5) .
N2 C26 1.332(4) .
N2 C22 1.335(4) .
O1 C1 1.263(4) .
O2 C1 1.266(4) .
O3 C9 1.266(4) .
O4 C9 1.256(4) .
O4 Co1 2.039(2) 7
C1 C2 1.495(5) .
C2 C4 1.376(5) .
C2 C3 1.382(5) .
C3 C5 1.374(6) .
C3 H3A 0.9300 .
C4 C6 1.407(5) .
C4 H4A 0.9300 .
C5 C7 1.372(6) .
C5 H5A 0.9300 .
C6 C7 1.384(6) .
C6 H6A 0.9300 .
C7 C8 1.477(6) .
C8 C8 1.286(8) 5_666
C8 H8A 0.9300 .
C9 C10 1.491(4) .
C10 C12 1.377(5) .
C10 C11 1.383(5) .
C11 C13 1.388(5) .
C11 H11A 0.9300 .
C12 C14 1.375(5) .
C12 H12A 0.9300 .
C13 C15 1.393(5) .
C13 H13A 0.9300 .
C14 C15 1.397(5) .
C14 H14A 0.9300 .
C15 C16 1.468(5) .
C16 C16 1.313(7) 5_655
C16 H16A 0.9300 .
C17 C18 1.385(6) .
C17 H17A 0.9300 .
C18 C19 1.323(7) .
C18 H18A 0.9300 .
C19 C20 1.371(7) .
C19 H19A 0.9300 .
C20 C21 1.374(6) .
C20 H20A 0.9300 .
C21 H21A 0.9300 .
C22 C23 1.365(6) .
C22 H22A 0.9300 .
C23 C24 1.366(6) .
C23 H23A 0.9300 .
C24 C25 1.357(6) .
C24 H24A 0.9300 .
C25 C26 1.356(5) .
C25 H25A 0.9300 .
C26 H26A 0.9300 .
C29 C28 1.373(11) 2_655
C29 C28 1.373(11) .
C29 C28' 1.402(11) .
C29 C28' 1.402(11) 2_655
C29 H29A 0.9300 .
N3 C27 1.370(11) .
N3 C27 1.370(11) 2_655
N3 C27' 1.414(11) 2_655
N3 C27' 1.414(11) .
C27 C28 1.314(14) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
C28' C27' 1.269(13) .
C28' H28C 0.9300 .
C27' H27C 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
O3 Co1 N1 C17 76.5(3) . .
O4 Co1 N1 C17 -27.2(3) 7 .
O2 Co1 N1 C17 -119.1(3) . .
N2 Co1 N1 C17 132.9(5) . .
O1 Co1 N1 C17 -179.4(3) . .
C1 Co1 N1 C17 -149.3(3) . .
O3 Co1 N1 C21 -94.8(3) . .
O4 Co1 N1 C21 161.6(3) 7 .
O2 Co1 N1 C21 69.6(3) . .
N2 Co1 N1 C21 -38.3(7) . .
O1 Co1 N1 C21 9.3(3) . .
C1 Co1 N1 C21 39.4(3) . .
O3 Co1 N2 C26 51.0(3) . .
O4 Co1 N2 C26 154.9(3) 7 .
O2 Co1 N2 C26 -113.8(3) . .
N1 Co1 N2 C26 -5.6(7) . .
O1 Co1 N2 C26 -53.6(3) . .
C1 Co1 N2 C26 -83.7(3) . .
O3 Co1 N2 C22 -132.7(3) . .
O4 Co1 N2 C22 -28.9(3) 7 .
O2 Co1 N2 C22 62.5(3) . .
N1 Co1 N2 C22 170.7(4) . .
O1 Co1 N2 C22 122.7(3) . .
C1 Co1 N2 C22 92.5(3) . .
O3 Co1 O1 C1 -178.3(2) . .
O4 Co1 O1 C1 -13.8(3) 7 .
O2 Co1 O1 C1 0.0(2) . .
N2 Co1 O1 C1 -94.4(2) . .
N1 Co1 O1 C1 94.9(2) . .
O3 Co1 O2 C1 6.3(5) . .
O4 Co1 O2 C1 173.4(2) 7 .
N2 Co1 O2 C1 82.5(2) . .
N1 Co1 O2 C1 -85.6(2) . .
O1 Co1 O2 C1 0.0(2) . .
O4 Co1 O3 C9 98.4(4) 7 .
O2 Co1 O3 C9 -94.9(5) . .
N2 Co1 O3 C9 -171.8(4) . .
N1 Co1 O3 C9 -2.2(4) . .
O1 Co1 O3 C9 -89.2(4) . .
C1 Co1 O3 C9 -90.5(4) . .
Co1 O1 C1 O2 0.0(3) . .
Co1 O1 C1 C2 -177.7(3) . .
Co1 O2 C1 O1 0.0(4) . .
Co1 O2 C1 C2 177.7(3) . .
O3 Co1 C1 O1 2.3(3) . .
O4 Co1 C1 O1 172.22(18) 7 .
O2 Co1 C1 O1 180.0(3) . .
N2 Co1 C1 O1 83.1(2) . .
N1 Co1 C1 O1 -84.6(2) . .
O3 Co1 C1 O2 -177.64(17) . .
O4 Co1 C1 O2 -7.8(3) 7 .
N2 Co1 C1 O2 -96.9(2) . .
N1 Co1 C1 O2 95.4(2) . .
O1 Co1 C1 O2 -180.0(3) . .
O3 Co1 C1 C2 141(5) . .
O4 Co1 C1 C2 -49(6) 7 .
O2 Co1 C1 C2 -41(5) . .
N2 Co1 C1 C2 -138(6) . .
N1 Co1 C1 C2 54(6) . .
O1 Co1 C1 C2 139(6) . .
O1 C1 C2 C4 179.7(4) . .
O2 C1 C2 C4 1.9(6) . .
Co1 C1 C2 C4 42(6) . .
O1 C1 C2 C3 1.3(6) . .
O2 C1 C2 C3 -176.4(4) . .
Co1 C1 C2 C3 -137(5) . .
C4 C2 C3 C5 1.4(7) . .
C1 C2 C3 C5 179.7(4) . .
C3 C2 C4 C6 -1.7(7) . .
C1 C2 C4 C6 180.0(4) . .
C2 C3 C5 C7 0.2(8) . .
C2 C4 C6 C7 0.4(7) . .
C3 C5 C7 C6 -1.6(8) . .
C3 C5 C7 C8 177.6(4) . .
C4 C6 C7 C5 1.3(7) . .
C4 C6 C7 C8 -177.9(4) . .
C5 C7 C8 C8 177.6(6) . 5_666
C6 C7 C8 C8 -3.3(10) . 5_666
Co1 O4 C9 O3 14.4(5) 7 .
Co1 O4 C9 C10 -169.1(2) 7 .
Co1 O3 C9 O4 -101.2(5) . .
Co1 O3 C9 C10 82.2(5) . .
O4 C9 C10 C12 -179.8(3) . .
O3 C9 C10 C12 -3.0(5) . .
O4 C9 C10 C11 -2.8(5) . .
O3 C9 C10 C11 173.9(3) . .
C12 C10 C11 C13 0.0(6) . .
C9 C10 C11 C13 -177.0(4) . .
C11 C10 C12 C14 -0.9(6) . .
C9 C10 C12 C14 176.1(3) . .
C10 C11 C13 C15 0.7(7) . .
C10 C12 C14 C15 1.1(6) . .
C12 C14 C15 C13 -0.4(6) . .
C12 C14 C15 C16 179.4(4) . .
C11 C13 C15 C14 -0.5(6) . .
C11 C13 C15 C16 179.7(4) . .
C14 C15 C16 C16 2.7(8) . 5_655
C13 C15 C16 C16 -177.5(6) . 5_655
C21 N1 C17 C18 1.8(7) . .
Co1 N1 C17 C18 -169.9(4) . .
N1 C17 C18 C19 -0.4(8) . .
C17 C18 C19 C20 -1.6(8) . .
C18 C19 C20 C21 2.0(8) . .
C17 N1 C21 C20 -1.4(7) . .
Co1 N1 C21 C20 170.4(4) . .
C19 C20 C21 N1 -0.4(8) . .
C26 N2 C22 C23 -0.5(6) . .
Co1 N2 C22 C23 -176.8(3) . .
N2 C22 C23 C24 0.1(8) . .
C22 C23 C24 C25 -0.2(8) . .
C23 C24 C25 C26 0.5(8) . .
C22 N2 C26 C25 0.9(6) . .
Co1 N2 C26 C25 177.4(3) . .
C24 C25 C26 N2 -0.9(7) . .
C27 N3 C27 C28 -5.1(8) 2_655 .
C27' N3 C27 C28 42.3(12) 2_655 .
C27' N3 C27 C28 -78.0(12) . .
N3 C27 C28 C29 10.0(15) . .
C28 C29 C28 C27 -5.2(8) 2_655 .
C28' C29 C28 C27 67.7(11) . .
C28' C29 C28 C27 -58.2(12) 2_655 .
C28 C29 C28' C27' 55.8(12) 2_655 .
C28 C29 C28' C27' -67.3(12) . .
C28' C29 C28' C27' 3.6(8) 2_655 .
C29 C28' C27' N3 -7.0(15) . .
C27 N3 C27' C28' 79.7(13) . .
C27 N3 C27' C28' -44.6(12) 2_655 .
C27' N3 C27' C28' 3.7(8) 2_655 .
