#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:12:28 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179050 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/12/4301269.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_4301269
loop_
_publ_author_name
'Lu-Fang Ma'
'Li-Ya Wang'
'Yao-Yu Wang'
'Stuart R. Batten'
'Jian-Ge Wang'
_publ_section_title
;
Self-Assembly of a Series of Cobalt(II) Coordination Polymers Constructed
from H2tbip and Dipyridyl-Based Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              915
_journal_page_last               924
_journal_paper_doi               10.1021/ic801278j
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C22 H20 Co N2 O4'
_chemical_formula_weight         435.33
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 102.5780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.690(3)
_cell_length_b                   11.3991(14)
_cell_length_c                   9.9980(12)
_cell_measurement_reflns_used    3463
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.26
_cell_measurement_theta_min      2.51
_cell_volume                     2412.6(5)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0224
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9028
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  0.9711
_exptl_absorpt_correction_T_min  0.9502
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.196
_refine_diff_density_min         -0.928
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     139
_refine_ls_number_reflns         2362
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0813
_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)+(0.1798P)²+11.3721P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2611
_refine_ls_wR_factor_ref         0.2704
_reflns_number_gt                2083
_reflns_number_total             2362
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801278j_si_002.cif
_cod_data_source_block           2
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4301269
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
N1 N 0.0593(4) 0.1884(12) 0.3746(8) 0.0433(11) Uani 0.528(10) 1 d PG . 1
C13 C 0.0950(6) 0.2527(13) 0.4813(10) 0.057(3) Uani 0.528(10) 1 d PG . 1
H13 H 0.1177 0.2137 0.5580 0.068 Uiso 0.528(10) 1 calc PR . 1
C14 C 0.0974(7) 0.3693(13) 0.4761(13) 0.070(4) Uani 0.528(10) 1 d PG . 1
H14 H 0.1253 0.4099 0.5442 0.084 Uiso 0.528(10) 1 calc PR . 1
C15 C 0.0584(6) 0.4314(13) 0.3693(14) 0.0471(14) Uani 0.528(10) 1 d PG . 1
C16 C 0.0234(6) 0.3691(13) 0.2663(14) 0.060(4) Uani 0.528(10) 1 d PG . 1
H16 H -0.0019 0.4083 0.1929 0.072 Uiso 0.528(10) 1 calc PR . 1
C17 C 0.0242(5) 0.2505(12) 0.2672(11) 0.058(4) Uani 0.528(10) 1 d PG . 1
H17 H 0.0002 0.2100 0.1930 0.070 Uiso 0.528(10) 1 calc PR . 1
N1' N 0.0601(3) 0.1918(13) 0.3735(7) 0.0433(11) Uani 0.472(10) 1 d PG . 2
C13' C 0.1138(4) 0.2511(14) 0.4412(9) 0.057(3) Uani 0.472(10) 1 d PG . 2
H13' H 0.1494 0.2102 0.4859 0.068 Uiso 0.472(10) 1 calc PR . 2
C14' C 0.1130(6) 0.3742(14) 0.4403(13) 0.070(4) Uani 0.472(10) 1 d PG . 2
H14' H 0.1487 0.4162 0.4825 0.084 Uiso 0.472(10) 1 calc PR . 2
C15' C 0.0585(7) 0.4325(13) 0.3762(15) 0.0471(14) Uani 0.472(10) 1 d PG . 2
C16' C 0.0048(6) 0.3716(14) 0.3059(13) 0.060(4) Uani 0.472(10) 1 d PG . 2
H16' H -0.0307 0.4122 0.2596 0.072 Uiso 0.472(10) 1 calc PR . 2
C17' C 0.0056(4) 0.2485(14) 0.3067(9) 0.058(4) Uani 0.472(10) 1 d PG . 2
H17' H -0.0297 0.2059 0.2634 0.070 Uiso 0.472(10) 1 calc PR . 2
Co1 Co 0.06133(4) 0.0000(13) 0.37288(8) 0.0322(4) Uani 1 2 d SG . .
O1 O 0.14971(4) 0.0000(14) 0.29294(12) 0.067(2) Uani 1 2 d SG . .
O2 O 0.05785(5) 0.0000(14) 0.15960(8) 0.0500(14) Uani 1 2 d SG . .
O3 O 0.03219(16) 0.000(2) -0.34390(8) 0.0527(15) Uani 1 2 d SG . .
O4 O 0.11910(18) 0.000(2) -0.43260(16) 0.0451(13) Uani 1 2 d SG . .
C2 C 0.10502(10) 0.0000(17) -0.07519(11) 0.0442(18) Uani 1 2 d SG . .
H2 H 0.0614 0.0000 -0.0853 0.053 Uiso 1 2 d SR . .
C1 C 0.14498(19) 0.0000 0.0522(4) 0.072(3) Uani 1 2 d SG . .
C3 C 0.13441(19) 0.0000(18) -0.1902(4) 0.060(3) Uani 1 2 d SG . .
C7 C 0.1156(3) 0.0000(8) 0.1725(5) 0.052(2) Uani 1 2 d SG . .
C8 C 0.0906(3) 0.000(3) -0.3321(5) 0.0337(14) Uani 1 2 d SG . .
C4 C 0.19729(18) 0.0341(16) -0.1750(5) 0.138(8) Uani 0.50 1 d PGU . -1
H4 H 0.2143 0.0461 -0.2514 0.165 Uiso 0.50 1 d PR . -1
C5 C 0.2340(2) 0.0526(9) -0.0452(5) 0.145(8) Uani 0.50 1 d PGU . -1
C6 C 0.2079(2) 0.0393(6) 0.0684(5) 0.137(8) Uani 0.50 1 d PGU . -1
H6 H 0.2317 0.0563 0.1551 0.165 Uiso 0.50 1 d PR . -1
C9 C 0.3055(3) 0.0738(14) -0.0229(8) 0.164(8) Uani 0.50 1 d PGU . -1
C10 C 0.3285(3) 0.0971(19) -0.1528(10) 0.200(10) Uani 0.50 1 d PGU . -1
H10A H 0.3109 0.1695 -0.1929 0.300 Uiso 0.50 1 calc PR . -1
H10B H 0.3155 0.0341 -0.2164 0.300 Uiso 0.50 1 calc PR . -1
H10C H 0.3738 0.1025 -0.1314 0.300 Uiso 0.50 1 calc PR . -1
C11 C 0.3405(3) -0.0354(17) 0.0453(11) 0.220(10) Uani 0.50 1 d PGU . -1
H11A H 0.3725 -0.0120 0.1230 0.331 Uiso 0.50 1 calc PR . -1
H11B H 0.3598 -0.0757 -0.0193 0.331 Uiso 0.50 1 calc PR . -1
H11C H 0.3110 -0.0868 0.0749 0.331 Uiso 0.50 1 calc PR . -1
C12 C 0.3278(5) 0.1763(17) 0.0759(16) 0.184(9) Uani 0.50 1 d PGU . -1
H12A H 0.3714 0.1651 0.1197 0.276 Uiso 0.50 1 calc PR . -1
H12B H 0.3028 0.1790 0.1442 0.276 Uiso 0.50 1 calc PR . -1
H12C H 0.3232 0.2487 0.0257 0.276 Uiso 0.50 1 calc PR . -1
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
C17 N1 C13 116.9 . . ?
C17 N1 Co1 121.3(3) . . ?
C13 N1 Co1 121.8(3) . . ?
C14 C13 N1 121.3 . . ?
C14 C13 H13 119.4 . . ?
N1 C13 H13 119.4 . . ?
C13 C14 C15 120.8 . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C16 C15 C14 117.6 . . ?
C16 C15 C15 122.0 . 6_565 ?
C14 C15 C15 120.4 . 6_565 ?
C15 C16 C17 121.3 . . ?
C15 C16 H16 119.3 . . ?
C17 C16 H16 119.3 . . ?
C16 C17 N1 121.7 . . ?
C16 C17 H17 119.1 . . ?
N1 C17 H17 119.1 . . ?
C17' N1' C13' 123.1 . . ?
C17' N1' Co1 118.4 . . ?
C13' N1' Co1 118.6 . . ?
N1' C13' C14' 118.4 . . ?
N1' C13' H13' 120.8 . . ?
C14' C13' H13' 120.8 . . ?
C15' C14' C13' 119.4 . . ?
C15' C14' H14' 120.3 . . ?
C13' C14' H14' 120.3 . . ?
C14' C15' C16' 121.7 . . ?
C14' C15' C15' 118.7 . 6_565 ?
C16' C15' C15' 119.6 . 6_565 ?
C17' C16' C15' 118.9 . . ?
C17' C16' H16' 120.6 . . ?
C15' C16' H16' 120.6 . . ?
N1' C17' C16' 118.5 . . ?
N1' C17' H17' 120.7 . . ?
C16' C17' H17' 120.7 . . ?
O3 Co1 O4 121.79(7) 5 1_556 ?
O3 Co1 O2 92.40(7) 5 . ?
O4 Co1 O2 145.8 1_556 . ?
O3 Co1 N1 88.8(9) 5 6 ?
O4 Co1 N1 90.11(16) 1_556 6 ?
O2 Co1 N1 90.68(18) . 6 ?
O3 Co1 N1 88.8(9) 5 . ?
O4 Co1 N1 90.1(4) 1_556 . ?
O2 Co1 N1 90.7(3) . . ?
N1 Co1 N1 177.3(4) 6 . ?
O3 Co1 N1' 89.3(9) 5 6 ?
O4 Co1 N1' 90.2(4) 1_556 6 ?
O2 Co1 N1' 90.3(3) . 6 ?
N1 Co1 N1' 0.6(2) 6 6 ?
N1 Co1 N1' 177.9(2) . 6 ?
O3 Co1 N1' 89.3(9) 5 . ?
O4 Co1 N1' 90.2 1_556 . ?
O2 Co1 N1' 90.3 . . ?
N1 Co1 N1' 177.9(2) 6 . ?
N1 Co1 N1' 0.6(2) . . ?
N1' Co1 N1' 178.5(3) 6 . ?
O3 Co1 O1 151.35(7) 5 . ?
O4 Co1 O1 86.9 1_556 . ?
O2 Co1 O1 59.0 . . ?
N1 Co1 O1 91.4(2) 6 . ?
N1 Co1 O1 91.4(3) . . ?
N1' Co1 O1 90.8(2) 6 . ?
N1' Co1 O1 90.8 . . ?
C7 O1 Co1 88.3(3) . . ?
C7 O2 Co1 94.7(2) . . ?
C8 O3 Co1 177.1(3) . 5 ?
C8 O4 Co1 115.9(3) . 1_554 ?
C1 C2 C3 116.3(3) . . ?
C1 C2 H2 121.5 . . ?
C3 C2 H2 122.2 . . ?
C2 C1 C6 120.3(4) . 6 ?
C2 C1 C6 120.3(4) . . ?
C6 C1 C6 37.0(5) 6 . ?
C2 C1 C7 117.17(17) . . ?
C6 C1 C7 118.96(10) 6 . ?
C6 C1 C7 119.0 . . ?
C4 C3 C4 32.4(14) 6 . ?
C4 C3 C2 120.5(5) 6 . ?
C4 C3 C2 120.5(3) . . ?
C4 C3 C8 119.9(2) 6 . ?
C4 C3 C8 119.9 . . ?
C2 C3 C8 116.79(17) . . ?
O2 C7 O1 118.0(4) . . ?
O2 C7 C1 121.6(3) . . ?
O1 C7 C1 120.4(3) . . ?
O3 C8 O4 125.2(4) . . ?
O3 C8 C3 120.1(3) . . ?
O4 C8 C3 114.6(3) . . ?
C5 C4 C3 119.6 . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 120.4 . . ?
C6 C5 C4 119.9 . . ?
C6 C5 C9 118.6 . . ?
C4 C5 C9 121.1 . . ?
C5 C6 C1 119.9 . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.1 . . ?
C10 C9 C5 114.5 . . ?
C10 C9 C11 107.4 . . ?
C5 C9 C11 108.7 . . ?
C10 C9 C12 107.5 . . ?
C5 C9 C12 112.3 . . ?
C11 C9 C12 105.9 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
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
N1 C17 1.370(5) . ?
N1 C13 1.384(5) . ?
N1 Co1 2.15(3) . ?
C13 C14 1.332(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.402(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.342(5) . ?
C15 C15 1.56(3) 6_565 ?
C16 C17 1.352(5) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
N1' C17' 1.3841 . ?
N1' C13' 1.3889 . ?
N1' Co1 2.1870 . ?
C13' C14' 1.4029 . ?
C13' H13' 0.9300 . ?
C14' C15' 1.3853 . ?
C14' H14' 0.9300 . ?
C15' C16' 1.4061 . ?
C15' C15' 1.54(3) 6_565 ?
C16' C17' 1.4030 . ?
C16' H16' 0.9300 . ?
C17' H17' 0.9300 . ?
Co1 O3 1.9856(17) 5 ?
Co1 O4 2.0715 1_556 ?
Co1 O2 2.1173 . ?
Co1 N1 2.148(8) 6 ?
Co1 N1' 2.19(3) 6 ?
Co1 O1 2.2317 . ?
O1 C7 1.269(5) . ?
O2 C7 1.230(6) . ?
O3 C8 1.246(6) . ?
O3 Co1 1.986(7) 5 ?
O4 C8 1.289(5) . ?
O4 Co1 2.0715 1_554 ?
C2 C1 1.376(4) . ?
C2 C3 1.431(4) . ?
C2 H2 0.9296 . ?
C1 C6 1.411(5) 6 ?
C1 C6 1.411(2) . ?
C1 C7 1.479(2) . ?
C3 C4 1.394(10) 6 ?
C3 C4 1.3943(19) . ?
C3 C8 1.526(2) . ?
C4 C5 1.3829(19) . ?
C4 H4 0.9281 . ?
C5 C6 1.3828(19) . ?
C5 C9 1.537(2) . ?
C6 H6 0.9283 . ?
C9 C10 1.513(2) . ?
C9 C11 1.538(2) . ?
C9 C12 1.539(2) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
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
C17 N1 C13 C14 -3.3 . . . . ?
Co1 N1 C13 C14 174.4(5) . . . . ?
N1 C13 C14 C15 7.1 . . . . ?
C13 C14 C15 C16 -6.4 . . . . ?
C13 C14 C15 C15 175.9 . . . 6_565 ?
C14 C15 C16 C17 1.9 . . . . ?
C15 C15 C16 C17 179.6 6_565 . . . ?
C15 C16 C17 N1 1.8 . . . . ?
C13 N1 C17 C16 -1.2 . . . . ?
Co1 N1 C17 C16 -178.9(5) . . . . ?
C17' N1' C13' C14' -0.8 . . . . ?
Co1 N1' C13' C14' 179.5 . . . . ?
N1' C13' C14' C15' 1.9 . . . . ?
C13' C14' C15' C16' -3.2 . . . . ?
C13' C14' C15' C15' -179.9 . . . 6_565 ?
C14' C15' C16' C17' 3.2 . . . . ?
C15' C15' C16' C17' 179.9 6_565 . . . ?
C13' N1' C17' C16' 0.8 . . . . ?
Co1 N1' C17' C16' -179.5 . . . . ?
C15' C16' C17' N1' -1.9 . . . . ?
C17 N1 Co1 O3 -55.9(5) . . . 5 ?
C13 N1 Co1 O3 126.6(6) . . . 5 ?
C17 N1 Co1 O4 -177.7(5) . . . 1_556 ?
C13 N1 Co1 O4 4.8(6) . . . 1_556 ?
C17 N1 Co1 O2 36.5(5) . . . . ?
C13 N1 Co1 O2 -141.1(6) . . . . ?
C17 N1 Co1 N1 -83(9) . . . 6 ?
C13 N1 Co1 N1 99(9) . . . 6 ?
C17 N1 Co1 N1' -81(4) . . . 6 ?
C13 N1 Co1 N1' 102(4) . . . 6 ?
C17 N1 Co1 N1' 88(41) . . . . ?
C13 N1 Co1 N1' -90(41) . . . . ?
C17 N1 Co1 O1 95.4(5) . . . . ?
C13 N1 Co1 O1 -82.1(6) . . . . ?
C17' N1' Co1 O3 -24.25(7) . . . 5 ?
C13' N1' Co1 O3 155.51(7) . . . 5 ?
C17' N1' Co1 O4 -146.0 . . . 1_556 ?
C13' N1' Co1 O4 33.7 . . . 1_556 ?
C17' N1' Co1 O2 68.1 . . . . ?
C13' N1' Co1 O2 -112.1 . . . . ?
C17' N1' Co1 N1 -49(4) . . . 6 ?
C13' N1' Co1 N1 131(4) . . . 6 ?
C17' N1' Co1 N1 -61(41) . . . . ?
C13' N1' Co1 N1 119(41) . . . . ?
C17' N1' Co1 N1' -44(14) . . . 6 ?
C13' N1' Co1 N1' 136(14) . . . 6 ?
C17' N1' Co1 O1 127.1 . . . . ?
C13' N1' Co1 O1 -53.1 . . . . ?
O3 Co1 O1 C7 0.0(14) 5 . . . ?
O4 Co1 O1 C7 180.0(8) 1_556 . . . ?
O2 Co1 O1 C7 0.0(8) . . . . ?
N1 Co1 O1 C7 90.0(9) 6 . . . ?
N1 Co1 O1 C7 -90.0(9) . . . . ?
N1' Co1 O1 C7 89.9(9) 6 . . . ?
N1' Co1 O1 C7 -89.9(8) . . . . ?
O3 Co1 O2 C7 180.0(17) 5 . . . ?
O4 Co1 O2 C7 0.0(9) 1_556 . . . ?
N1 Co1 O2 C7 -91.2(9) 6 . . . ?
N1 Co1 O2 C7 91.2(9) . . . . ?
N1' Co1 O2 C7 -90.7(9) 6 . . . ?
N1' Co1 O2 C7 90.7(9) . . . . ?
O1 Co1 O2 C7 0.0(9) . . . . ?
C3 C2 C1 C6 -21.6(19) . . . 6 ?
C3 C2 C1 C6 22(2) . . . . ?
C3 C2 C1 C7 180.0(10) . . . . ?
C1 C2 C3 C4 19(3) . . . 6 ?
C1 C2 C3 C4 -19(2) . . . . ?
C1 C2 C3 C8 180.0(11) . . . . ?
Co1 O2 C7 O1 0.0(15) . . . . ?
Co1 O2 C7 C1 180.0(8) . . . . ?
Co1 O1 C7 O2 0.0(14) . . . . ?
Co1 O1 C7 C1 180.0(8) . . . . ?
C2 C1 C7 O2 0.0(10) . . . . ?
C6 C1 C7 O2 -158.7(11) 6 . . . ?
C6 C1 C7 O2 158.7(11) . . . . ?
C2 C1 C7 O1 180.0(17) . . . . ?
C6 C1 C7 O1 21.3(12) 6 . . . ?
C6 C1 C7 O1 -21.3(13) . . . . ?
Co1 O3 C8 O4 0(65) 5 . . . ?
Co1 O3 C8 C3 180(100) 5 . . . ?
Co1 O4 C8 O3 0(5) 1_554 . . . ?
Co1 O4 C8 C3 180.0(6) 1_554 . . . ?
C4 C3 C8 O3 161(4) 6 . . . ?
C4 C3 C8 O3 -161(2) . . . . ?
C2 C3 C8 O3 0.0(16) . . . . ?
C4 C3 C8 O4 -18.8(15) 6 . . . ?
C4 C3 C8 O4 19(2) . . . . ?
C2 C3 C8 O4 180(3) . . . . ?
C4 C3 C4 C5 -91.0 6 . . . ?
C2 C3 C4 C5 8.9(10) . . . . ?
C8 C3 C4 C5 169.4 . . . . ?
C3 C4 C5 C6 -1.2 . . . . ?
C3 C4 C5 C9 171.6 . . . . ?
C4 C5 C6 C1 3.9 . . . . ?
C9 C5 C6 C1 -169.2 . . . . ?
C2 C1 C6 C5 -14.7(10) . . . . ?
C6 C1 C6 C5 86.6 6 . . . ?
C7 C1 C6 C5 -172.8 . . . . ?
C6 C5 C9 C10 -175.2 . . . . ?
C4 C5 C9 C10 11.9 . . . . ?
C6 C5 C9 C11 64.6 . . . . ?
C4 C5 C9 C11 -108.3 . . . . ?
C6 C5 C9 C12 -52.2 . . . . ?
C4 C5 C9 C12 134.9 . . . . ?
