#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:43:04 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180401 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/70/7207087.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_7207087
loop_
_publ_author_name
'Jin, Rui-Fang'
'Yang, Shi-Yao'
'Li, Hui-Min'
'Long, La-Sheng'
'Huang, Rong-Bin'
'Zheng, Lan-Sun'
_publ_section_title
;
 Effect of ionic radius on the assemblies of first row transition
 metal--5-tert-butylisophthalates--(2,2′-bipyridine or
 phenanthroline) coordination compounds
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              1301
_journal_paper_doi               10.1039/c1ce05959a
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C24 H22 Co N2 O5'
_chemical_formula_sum            'C24 H22 Co N2 O5'
_chemical_formula_weight         477.37
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 97.234(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.3721(7)
_cell_length_b                   12.7909(6)
_cell_length_c                   12.5990(6)
_cell_measurement_reflns_used    6189
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.6926
_cell_measurement_theta_min      2.2783
_cell_volume                     2297.66(19)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.924
_diffrn_measurement_device_type  'Bruker APEX area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scan'
_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  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0361
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18582
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.46
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    0.784
_exptl_absorpt_correction_T_max  0.8527
_exptl_absorpt_correction_T_min  0.8465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             988
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.565
_refine_diff_density_min         -0.370
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     292
_refine_ls_number_reflns         5354
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0516
_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)+(0.0764P)²+0.3367P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1229
_refine_ls_wR_factor_ref         0.1309
_reflns_number_gt                4214
_reflns_number_total             5354
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05959a.txt
_cod_data_source_block           CoPhen1-[Co(tbip)(phen)(H2O)]n
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' 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      P21/c
_cod_database_code               7207087
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Co1 Co 0.14142(2) 0.43504(2) 0.63591(2) 0.02836(12) Uani 1 1 d .
N1 N 0.10275(14) 0.30010(14) 0.54056(15) 0.0303(4) Uani 1 1 d .
N2 N 0.20830(14) 0.31513(15) 0.72911(15) 0.0323(4) Uani 1 1 d .
O1W O 0.00638(11) 0.44663(12) 0.67751(13) 0.0346(4) Uani 1 1 d .
H1WA H 0.0027 0.4984 0.7152 0.052 Uiso 1 1 calc R
H1WB H -0.0356 0.4495 0.6237 0.052 Uiso 1 1 d R
O1 O 0.11646(12) 0.54468(13) 0.50851(14) 0.0361(4) Uani 1 1 d .
O2 O 0.26097(12) 0.49479(13) 0.55627(15) 0.0402(4) Uani 1 1 d .
O3 O 0.05763(12) 0.87693(14) 0.29075(15) 0.0418(4) Uani 1 1 d .
O4 O 0.18515(13) 0.95936(14) 0.25071(16) 0.0449(5) Uani 1 1 d .
C1 C 0.23673(16) 0.64148(17) 0.43858(18) 0.0296(5) Uani 1 1 d .
C2 C 0.17542(16) 0.71863(17) 0.39644(18) 0.0298(5) Uani 1 1 d .
H2A H 0.1134 0.7184 0.4104 0.036 Uiso 1 1 calc R
C3 C 0.20716(16) 0.79618(18) 0.33335(19) 0.0321(5) Uani 1 1 d .
C4 C 0.29912(18) 0.7935(2) 0.3107(2) 0.0423(6) Uani 1 1 d .
H4A H 0.3196 0.8453 0.2673 0.051 Uiso 1 1 calc R
C5 C 0.36201(17) 0.7156(2) 0.3508(2) 0.0421(6) Uani 1 1 d .
C6 C 0.32932(16) 0.64128(19) 0.4175(2) 0.0352(5) Uani 1 1 d .
H6A H 0.3702 0.5904 0.4486 0.042 Uiso 1 1 calc R
C7 C 0.20391(17) 0.55537(17) 0.50539(19) 0.0314(5) Uani 1 1 d .
C8 C 0.14351(17) 0.88311(18) 0.28805(18) 0.0324(5) Uani 1 1 d .
C9 C 0.4616(2) 0.7134(3) 0.3193(3) 0.0671(10) Uani 1 1 d .
C10 C 0.5221(3) 0.6276(4) 0.3800(5) 0.1111(18) Uani 1 1 d .
H10A H 0.4994 0.5601 0.3555 0.167 Uiso 1 1 calc R
H10B H 0.5185 0.6339 0.4553 0.167 Uiso 1 1 calc R
H10C H 0.5861 0.6354 0.3669 0.167 Uiso 1 1 calc R
C11 C 0.5109(3) 0.8167(4) 0.3544(6) 0.125(2) Uani 1 1 d .
H11A H 0.4808 0.8733 0.3135 0.187 Uiso 1 1 calc R
H11B H 0.5755 0.8130 0.3426 0.187 Uiso 1 1 calc R
H11C H 0.5072 0.8282 0.4291 0.187 Uiso 1 1 calc R
C12 C 0.4556(3) 0.6998(7) 0.2009(4) 0.158(3) Uani 1 1 d .
H12A H 0.4272 0.6336 0.1809 0.237 Uiso 1 1 calc R
H12B H 0.5174 0.7022 0.1799 0.237 Uiso 1 1 calc R
H12C H 0.4182 0.7550 0.1658 0.237 Uiso 1 1 calc R
C13 C 0.04992(18) 0.29342(19) 0.44691(19) 0.0365(5) Uani 1 1 d .
H13A H 0.0252 0.3547 0.4151 0.044 Uiso 1 1 calc R
C14 C 0.02953(19) 0.1990(2) 0.3935(2) 0.0420(6) Uani 1 1 d .
H14A H -0.0074 0.1982 0.3274 0.050 Uiso 1 1 calc R
C15 C 0.06415(19) 0.1081(2) 0.4390(2) 0.0416(6) Uani 1 1 d .
H15A H 0.0509 0.0446 0.4044 0.050 Uiso 1 1 calc R
C16 C 0.12008(18) 0.11161(18) 0.5387(2) 0.0366(6) Uani 1 1 d .
C17 C 0.1599(2) 0.0211(2) 0.5936(3) 0.0504(7) Uani 1 1 d .
H17A H 0.1498 -0.0443 0.5618 0.061 Uiso 1 1 calc R
C18 C 0.2113(2) 0.0283(2) 0.6897(3) 0.0521(7) Uani 1 1 d .
H18A H 0.2356 -0.0321 0.7238 0.062 Uiso 1 1 calc R
C19 C 0.22945(18) 0.1275(2) 0.7407(2) 0.0399(6) Uani 1 1 d .
C20 C 0.28139(19) 0.1418(2) 0.8421(2) 0.0484(7) Uani 1 1 d .
H20A H 0.3064 0.0842 0.8808 0.058 Uiso 1 1 calc R
C21 C 0.29502(19) 0.2393(2) 0.8834(2) 0.0477(7) Uani 1 1 d .
H21A H 0.3287 0.2487 0.9507 0.057 Uiso 1 1 calc R
C22 C 0.25821(18) 0.3249(2) 0.8245(2) 0.0404(6) Uani 1 1 d .
H22A H 0.2690 0.3915 0.8530 0.049 Uiso 1 1 calc R
C23 C 0.19317(16) 0.21815(18) 0.68825(19) 0.0308(5) Uani 1 1 d .
C24 C 0.13712(16) 0.21025(17) 0.58594(19) 0.0292(5) Uani 1 1 d .
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
O4 Co1 O1W 89.31(7) 4_576 .
O4 Co1 N2 90.51(8) 4_576 .
O1W Co1 N2 106.77(7) . .
O4 Co1 O1 96.15(8) 4_576 .
O1W Co1 O1 93.96(6) . .
N2 Co1 O1 158.31(7) . .
O4 Co1 N1 168.01(8) 4_576 .
O1W Co1 N1 90.82(7) . .
N2 Co1 N1 77.98(8) . .
O1 Co1 N1 95.80(7) . .
O4 Co1 O2 84.56(8) 4_576 .
O1W Co1 O2 152.31(6) . .
N2 Co1 O2 100.27(7) . .
O1 Co1 O2 60.07(6) . .
N1 Co1 O2 100.63(7) . .
O4 Co1 C7 87.38(8) 4_576 .
O1W Co1 C7 123.10(7) . .
N2 Co1 C7 130.03(8) . .
O1 Co1 C7 30.51(7) . .
N1 Co1 C7 102.54(7) . .
O2 Co1 C7 29.84(7) . .
C13 N1 C24 117.5(2) . .
C13 N1 Co1 129.29(16) . .
C24 N1 Co1 113.23(15) . .
C22 N2 C23 118.4(2) . .
C22 N2 Co1 126.73(17) . .
C23 N2 Co1 114.79(15) . .
Co1 O1W H1WA 109.5 . .
Co1 O1W H1WB 113.2 . .
H1WA O1W H1WB 109.6 . .
C7 O1 Co1 91.19(14) . .
C7 O2 Co1 87.14(15) . .
C8 O4 Co1 131.47(16) . 4_575
C2 C1 C6 120.5(2) . .
C2 C1 C7 120.6(2) . .
C6 C1 C7 118.9(2) . .
C1 C2 C3 119.4(2) . .
C1 C2 H2A 120.3 . .
C3 C2 H2A 120.3 . .
C2 C3 C4 119.5(2) . .
C2 C3 C8 121.2(2) . .
C4 C3 C8 119.3(2) . .
C3 C4 C5 122.2(2) . .
C3 C4 H4A 118.9 . .
C5 C4 H4A 118.9 . .
C6 C5 C4 117.0(2) . .
C6 C5 C9 122.8(2) . .
C4 C5 C9 120.2(2) . .
C5 C6 C1 121.3(2) . .
C5 C6 H6A 119.4 . .
C1 C6 H6A 119.4 . .
O2 C7 O1 120.5(2) . .
O2 C7 C1 120.9(2) . .
O1 C7 C1 118.6(2) . .
O2 C7 Co1 63.03(13) . .
O1 C7 Co1 58.30(12) . .
C1 C7 Co1 170.66(16) . .
O3 C8 O4 125.3(2) . .
O3 C8 C3 120.1(2) . .
O4 C8 C3 114.6(2) . .
C12 C9 C5 108.8(3) . .
C12 C9 C11 110.7(5) . .
C5 C9 C11 108.7(3) . .
C12 C9 C10 111.8(4) . .
C5 C9 C10 111.8(3) . .
C11 C9 C10 105.0(4) . .
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 . .
N1 C13 C14 123.2(2) . .
N1 C13 H13A 118.4 . .
C14 C13 H13A 118.4 . .
C15 C14 C13 119.5(2) . .
C15 C14 H14A 120.2 . .
C13 C14 H14A 120.2 . .
C14 C15 C16 119.1(2) . .
C14 C15 H15A 120.4 . .
C16 C15 H15A 120.4 . .
C24 C16 C15 117.2(2) . .
C24 C16 C17 119.0(2) . .
C15 C16 C17 123.8(2) . .
C18 C17 C16 121.5(3) . .
C18 C17 H17A 119.3 . .
C16 C17 H17A 119.3 . .
C17 C18 C19 121.0(3) . .
C17 C18 H18A 119.5 . .
C19 C18 H18A 119.5 . .
C23 C19 C20 116.3(2) . .
C23 C19 C18 119.1(2) . .
C20 C19 C18 124.6(2) . .
C21 C20 C19 120.2(2) . .
C21 C20 H20A 119.9 . .
C19 C20 H20A 119.9 . .
C20 C21 C22 119.5(3) . .
C20 C21 H21A 120.3 . .
C22 C21 H21A 120.3 . .
N2 C22 C21 122.4(3) . .
N2 C22 H22A 118.8 . .
C21 C22 H22A 118.8 . .
N2 C23 C19 123.2(2) . .
N2 C23 C24 116.9(2) . .
C19 C23 C24 119.9(2) . .
N1 C24 C16 123.4(2) . .
N1 C24 C23 117.0(2) . .
C16 C24 C23 119.5(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O4 2.0205(17) 4_576
Co1 O1W 2.0784(17) .
Co1 N2 2.0906(19) .
Co1 O1 2.1277(16) .
Co1 N1 2.1362(19) .
Co1 O2 2.2310(18) .
Co1 C7 2.500(2) .
N1 C13 1.323(3) .
N1 C24 1.349(3) .
N2 C22 1.325(3) .
N2 C23 1.350(3) .
O1W H1WA 0.8200 .
O1W H1WB 0.8499 .
O1 C7 1.270(3) .
O2 C7 1.246(3) .
O3 C8 1.242(3) .
O4 C8 1.265(3) .
O4 Co1 2.0205(17) 4_575
C1 C2 1.384(3) .
C1 C6 1.389(3) .
C1 C7 1.498(3) .
C2 C3 1.384(3) .
C2 H2A 0.9300 .
C3 C4 1.387(3) .
C3 C8 1.506(3) .
C4 C5 1.396(4) .
C4 H4A 0.9300 .
C5 C6 1.389(4) .
C5 C9 1.533(4) .
C6 H6A 0.9300 .
C9 C12 1.493(6) .
C9 C11 1.538(6) .
C9 C10 1.542(5) .
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 .
C13 C14 1.395(3) .
C13 H13A 0.9300 .
C14 C15 1.362(4) .
C14 H14A 0.9300 .
C15 C16 1.404(4) .
C15 H15A 0.9300 .
C16 C24 1.403(3) .
C16 C17 1.431(4) .
C17 C18 1.340(4) .
C17 H17A 0.9300 .
C18 C19 1.431(4) .
C18 H18A 0.9300 .
C19 C23 1.402(3) .
C19 C20 1.408(4) .
C20 C21 1.356(4) .
C20 H20A 0.9300 .
C21 C22 1.390(4) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.435(3) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O3 0.82 1.97 2.721(2) 151.9 4_576
O1W H1WB O1 0.85 1.91 2.753(2) 172.4 3_566
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
O4 Co1 N1 C13 163.3(3) 4_576
O1W Co1 N1 C13 72.8(2) .
N2 Co1 N1 C13 179.8(2) .
O1 Co1 N1 C13 -21.3(2) .
O2 Co1 N1 C13 -81.9(2) .
C7 Co1 N1 C13 -51.4(2) .
O4 Co1 N1 C24 -15.4(5) 4_576
O1W Co1 N1 C24 -105.92(16) .
N2 Co1 N1 C24 1.06(16) .
O1 Co1 N1 C24 160.02(16) .
O2 Co1 N1 C24 99.43(16) .
C7 Co1 N1 C24 129.84(16) .
O4 Co1 N2 C22 -1.2(2) 4_576
O1W Co1 N2 C22 -90.6(2) .
O1 Co1 N2 C22 107.0(3) .
N1 Co1 N2 C22 -177.8(2) .
O2 Co1 N2 C22 83.4(2) .
C7 Co1 N2 C22 85.8(2) .
O4 Co1 N2 C23 174.81(17) 4_576
O1W Co1 N2 C23 85.38(17) .
O1 Co1 N2 C23 -77.0(3) .
N1 Co1 N2 C23 -1.82(16) .
O2 Co1 N2 C23 -100.62(17) .
C7 Co1 N2 C23 -98.19(17) .
O4 Co1 O1 C7 74.12(14) 4_576
O1W Co1 O1 C7 163.86(14) .
N2 Co1 O1 C7 -33.0(3) .
N1 Co1 O1 C7 -104.91(14) .
O2 Co1 O1 C7 -5.97(13) .
O4 Co1 O2 C7 -94.22(14) 4_576
O1W Co1 O2 C7 -16.2(2) .
N2 Co1 O2 C7 176.25(14) .
O1 Co1 O2 C7 6.09(13) .
N1 Co1 O2 C7 96.70(14) .
C6 C1 C2 C3 -0.3(3) .
C7 C1 C2 C3 -178.8(2) .
C1 C2 C3 C4 2.0(4) .
C1 C2 C3 C8 -178.5(2) .
C2 C3 C4 C5 -1.0(4) .
C8 C3 C4 C5 179.5(2) .
C3 C4 C5 C6 -1.6(4) .
C3 C4 C5 C9 177.2(3) .
C4 C5 C6 C1 3.3(4) .
C9 C5 C6 C1 -175.5(3) .
C2 C1 C6 C5 -2.4(4) .
C7 C1 C6 C5 176.1(2) .
Co1 O2 C7 O1 -10.3(2) .
Co1 O2 C7 C1 170.3(2) .
Co1 O1 C7 O2 10.8(2) .
Co1 O1 C7 C1 -169.78(18) .
C2 C1 C7 O2 -169.4(2) .
C6 C1 C7 O2 12.1(3) .
C2 C1 C7 O1 11.2(3) .
C6 C1 C7 O1 -167.3(2) .
O4 Co1 C7 O2 83.64(14) 4_576
O1W Co1 C7 O2 171.10(12) .
N2 Co1 C7 O2 -4.82(18) .
O1 Co1 C7 O2 -169.6(2) .
N1 Co1 C7 O2 -89.55(14) .
O4 Co1 C7 O1 -106.80(14) 4_576
O1W Co1 C7 O1 -19.34(16) .
N2 Co1 C7 O1 164.74(13) .
N1 Co1 C7 O1 80.01(14) .
O2 Co1 C7 O1 169.6(2) .
Co1 O4 C8 O3 -27.8(4) 4_575
Co1 O4 C8 C3 153.26(18) 4_575
C2 C3 C8 O3 -12.6(3) .
C4 C3 C8 O3 166.9(2) .
C2 C3 C8 O4 166.3(2) .
C4 C3 C8 O4 -14.1(3) .
C6 C5 C9 C12 117.6(5) .
C4 C5 C9 C12 -61.2(5) .
C6 C5 C9 C11 -121.8(4) .
C4 C5 C9 C11 59.4(4) .
C6 C5 C9 C10 -6.3(5) .
C4 C5 C9 C10 174.9(3) .
C24 N1 C13 C14 -0.7(4) .
Co1 N1 C13 C14 -179.41(19) .
N1 C13 C14 C15 0.7(4) .
C13 C14 C15 C16 -0.3(4) .
C14 C15 C16 C24 -0.1(4) .
C14 C15 C16 C17 180.0(3) .
C24 C16 C17 C18 1.3(4) .
C15 C16 C17 C18 -178.7(3) .
C16 C17 C18 C19 -0.8(5) .
C17 C18 C19 C23 -0.5(4) .
C17 C18 C19 C20 178.9(3) .
C23 C19 C20 C21 -0.8(4) .
C18 C19 C20 C21 179.7(3) .
C19 C20 C21 C22 -0.7(4) .
C23 N2 C22 C21 -0.2(4) .
Co1 N2 C22 C21 175.7(2) .
C20 C21 C22 N2 1.2(4) .
C22 N2 C23 C19 -1.5(3) .
Co1 N2 C23 C19 -177.85(18) .
C22 N2 C23 C24 178.7(2) .
Co1 N2 C23 C24 2.3(3) .
C20 C19 C23 N2 2.0(4) .
C18 C19 C23 N2 -178.6(2) .
C20 C19 C23 C24 -178.2(2) .
C18 C19 C23 C24 1.3(4) .
C13 N1 C24 C16 0.4(4) .
Co1 N1 C24 C16 179.27(19) .
C13 N1 C24 C23 -179.1(2) .
Co1 N1 C24 C23 -0.2(3) .
C15 C16 C24 N1 0.0(4) .
C17 C16 C24 N1 180.0(2) .
C15 C16 C24 C23 179.5(2) .
C17 C16 C24 C23 -0.5(4) .
N2 C23 C24 N1 -1.4(3) .
C19 C23 C24 N1 178.8(2) .
N2 C23 C24 C16 179.1(2) .
C19 C23 C24 C16 -0.7(3) .
