#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:56:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179162 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/23/4312307.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_4312307
loop_
_publ_author_name
'Renata Dreos'
'Giorgio Nardin'
'Lucio Randaccio'
'Patrizia Siega'
'Giovanni Tauzher'
'Višnja Vrdoljak'
_publ_section_title
;
 New β Cis Folded Organocobalt Derivatives with a Salen-Type Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6805
_journal_page_last               6811
_journal_paper_doi               10.1021/ic034085r
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         '(C26 H29 Co N3 O2),(ClO4),CH2Cl2),(H2O)'
_chemical_formula_sum            'C27 H33 Cl3 Co N3 O7'
_chemical_formula_weight         676.84
_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                106.75(2)
_cell_angle_beta                 110.02(2)
_cell_angle_gamma                82.16(2)
_cell_formula_units_Z            2
_cell_length_a                   11.387(4)
_cell_length_b                   11.922(4)
_cell_length_c                   12.036(4)
_cell_measurement_reflns_used    'three frames with I>20sigma(I)'
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      'not available'
_cell_measurement_theta_min      'not available'
_cell_volume                     1468.8(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.928
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  'Nonius DIP 1030 H System'
_diffrn_measurement_method       '30 frames rotation 6° phi'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_sigmaI/netI    0.0770
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10178
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         3.06
_diffrn_standards_decay_%        'not available'
_diffrn_standards_interval_time  'not available'
_diffrn_standards_number         'not used'
_exptl_absorpt_coefficient_mu    0.907
_exptl_absorpt_correction_T_max  none
_exptl_absorpt_correction_T_min  none
_exptl_absorpt_correction_type   not_absorpt_correction_
_exptl_absorpt_process_details   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.677
_refine_diff_density_min         -1.042
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         6036
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0719
_refine_ls_R_factor_gt           0.0538
_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)+(0.0754P)²+1.0135P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1422
_refine_ls_wR_factor_ref         0.1580
_reflns_number_gt                4656
_reflns_number_total             6036
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034085rsi20030127_110931_2.cif
_cod_data_source_block           salch3_2
_cod_depositor_comments
;
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_database_code               4312307
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
C1 C 0.0750(3) 0.2483(3) -0.1435(3) 0.0285(7) Uani 1 1 d . . .
C2 C -0.0043(3) 0.2175(3) -0.2657(3) 0.0319(7) Uani 1 1 d . . .
H2 H -0.0893 0.2375 -0.2832 0.038 Uiso 1 1 calc R . .
C3 C 0.0421(4) 0.1577(3) -0.3604(3) 0.0342(8) Uani 1 1 d . . .
H3 H -0.0122 0.1384 -0.4404 0.041 Uiso 1 1 calc R . .
C4 C 0.1699(4) 0.1259(3) -0.3369(3) 0.0337(8) Uani 1 1 d . . .
C5 C 0.2472(4) 0.1550(3) -0.2174(3) 0.0330(8) Uani 1 1 d . . .
H5 H 0.3317 0.1329 -0.2012 0.040 Uiso 1 1 calc R . .
C6 C 0.2042(3) 0.2173(3) -0.1168(3) 0.0277(7) Uani 1 1 d . . .
C7 C 0.2942(3) 0.2504(3) 0.0069(3) 0.0298(7) Uani 1 1 d . . .
C8 C 0.3520(3) 0.3154(3) 0.2264(3) 0.0313(7) Uani 1 1 d . . .
H8A H 0.4190 0.3583 0.2275 0.038 Uiso 1 1 calc R . .
H8B H 0.3876 0.2423 0.2465 0.038 Uiso 1 1 calc R . .
C9 C 0.2917(3) 0.3870(3) 0.3206(3) 0.0317(7) Uani 1 1 d . . .
H9A H 0.3402 0.3773 0.4013 0.038 Uiso 1 1 calc R . .
H9B H 0.2871 0.4695 0.3232 0.038 Uiso 1 1 calc R . .
C10 C 0.1232(3) 0.3246(3) 0.3627(3) 0.0280(7) Uani 1 1 d . . .
C11 C 0.0038(3) 0.2658(3) 0.3240(3) 0.0295(7) Uani 1 1 d . . .
C12 C -0.0862(3) 0.3099(3) 0.3830(3) 0.0321(7) Uani 1 1 d . . .
H12 H -0.0719 0.3785 0.4459 0.038 Uiso 1 1 calc R . .
C13 C -0.1976(3) 0.2520(3) 0.3485(4) 0.0337(8) Uani 1 1 d . . .
C14 C -0.2138(4) 0.1477(3) 0.2581(4) 0.0370(8) Uani 1 1 d . . .
H14 H -0.2865 0.1076 0.2352 0.044 Uiso 1 1 calc R . .
C15 C -0.1248(4) 0.1012(3) 0.2006(4) 0.0368(8) Uani 1 1 d . . .
H15 H -0.1372 0.0301 0.1410 0.044 Uiso 1 1 calc R . .
C16 C -0.0170(3) 0.1612(3) 0.2327(3) 0.0313(7) Uani 1 1 d . . .
C17 C 0.0676(3) 0.1562(3) 0.0769(3) 0.0309(7) Uani 1 1 d . . .
H17A H -0.0141 0.1383 0.0164 0.037 Uiso 1 1 calc R . .
H17B H 0.1294 0.1122 0.0404 0.037 Uiso 1 1 calc R . .
C41 C 0.2203(4) 0.0584(4) -0.4393(4) 0.0440(9) Uani 1 1 d . . .
H18A H 0.3034 0.0820 -0.4218 0.066 Uiso 1 1 calc R . .
H18B H 0.1673 0.0743 -0.5149 0.066 Uiso 1 1 calc R . .
H18C H 0.2223 -0.0240 -0.4461 0.066 Uiso 1 1 calc R . .
C71 C 0.4317(4) 0.2360(5) 0.0218(4) 0.0494(11) Uani 1 1 d . . .
H19A H 0.4749 0.2996 0.0863 0.074 Uiso 1 1 calc R . .
H19B H 0.4437 0.2359 -0.0534 0.074 Uiso 1 1 calc R . .
H19C H 0.4641 0.1631 0.0419 0.074 Uiso 1 1 calc R . .
C101 C 0.1934(4) 0.3559(4) 0.4986(3) 0.0374(8) Uani 1 1 d . . .
H20A H 0.2648 0.3029 0.5154 0.056 Uiso 1 1 calc R . .
H20B H 0.1393 0.3499 0.5425 0.056 Uiso 1 1 calc R . .
H20C H 0.2206 0.4347 0.5240 0.056 Uiso 1 1 calc R . .
C131 C -0.2947(4) 0.3024(4) 0.4118(4) 0.0473(10) Uani 1 1 d . . .
H21A H -0.2549 0.3213 0.4989 0.071 Uiso 1 1 calc R . .
H21B H -0.3568 0.2457 0.3888 0.071 Uiso 1 1 calc R . .
H21C H -0.3338 0.3721 0.3879 0.071 Uiso 1 1 calc R . .
C22 C -0.0949(3) 0.4835(3) 0.1938(3) 0.0305(7) Uani 1 1 d . . .
H22 H -0.0248 0.5240 0.2484 0.037 Uiso 1 1 calc R . .
C23 C -0.2109(4) 0.5319(3) 0.1955(3) 0.0340(8) Uani 1 1 d . . .
H23 H -0.2184 0.6039 0.2496 0.041 Uiso 1 1 calc R . .
C24 C -0.3172(4) 0.4725(4) 0.1159(4) 0.0398(9) Uani 1 1 d . . .
H24 H -0.3967 0.5033 0.1164 0.048 Uiso 1 1 calc R . .
C25 C -0.3015(4) 0.3656(4) 0.0355(4) 0.0383(8) Uani 1 1 d . . .
H25 H -0.3703 0.3227 -0.0181 0.046 Uiso 1 1 calc R . .
C26 C -0.1809(3) 0.3242(3) 0.0367(3) 0.0324(7) Uani 1 1 d . . .
H26 H -0.1711 0.2548 -0.0201 0.039 Uiso 1 1 calc R . .
N1 N 0.2572(3) 0.2905(2) 0.1025(3) 0.0279(6) Uani 1 1 d . . .
N2 N 0.1646(3) 0.3433(2) 0.2828(3) 0.0283(6) Uani 1 1 d . . .
N3 N -0.0777(3) 0.3795(2) 0.1161(3) 0.0259(6) Uani 1 1 d . . .
O1 O 0.0232(2) 0.3101(2) -0.0593(2) 0.0296(5) Uani 1 1 d . . .
O2 O 0.0756(2) 0.1140(2) 0.1792(2) 0.0332(6) Uani 1 1 d . . .
O3 O 0.3336(4) 0.7235(3) 0.3036(4) 0.0747(12) Uani 1 1 d . . .
O4 O 0.3983(3) 0.5483(3) 0.1900(3) 0.0510(8) Uani 1 1 d . . .
O5 O 0.5280(3) 0.7096(3) 0.2718(3) 0.0534(8) Uani 1 1 d . . .
O6 O 0.4979(4) 0.6080(4) 0.4010(3) 0.0798(13) Uani 1 1 d . . .
Cl1 Cl 0.44090(7) 0.64912(7) 0.29521(8) 0.02996(19) Uani 1 1 d . . .
Co Co 0.09177(4) 0.32393(4) 0.10863(4) 0.02527(14) Uani 1 1 d . . .
O1W O 0.1282 0.5085 0.1328 0.032 Uani 1 1 d . . .
H1W1 H 0.1955 0.5109 0.1027 0.048 Uiso 1 1 d . . .
H1W2 H 0.0542 0.5458 0.0880 0.048 Uiso 1 1 d . . .
C27 C 0.6425(5) 1.0124(4) 0.7049(5) 0.0569(12) Uani 1 1 d . . .
H27A H 0.6139 1.0845 0.6797 0.068 Uiso 1 1 calc R . .
H27B H 0.7301 0.9982 0.7109 0.068 Uiso 1 1 calc R . .
Cl2 Cl 0.55663(12) 0.89641(10) 0.59364(11) 0.0536(3) Uani 1 1 d . . .
Cl3 Cl 0.62701(14) 1.03002(12) 0.85140(13) 0.0664(4) 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'
Cl Cl 0.1484 0.1585 '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
O1 C1 C2 117.0(3) . . ?
O1 C1 C6 123.6(3) . . ?
C2 C1 C6 119.4(3) . . ?
C3 C2 C1 121.2(3) . . ?
C2 C3 C4 120.8(3) . . ?
C5 C4 C3 118.0(3) . . ?
C5 C4 C41 121.0(4) . . ?
C3 C4 C41 121.0(4) . . ?
C4 C5 C6 123.4(3) . . ?
C1 C6 C5 117.3(3) . . ?
C1 C6 C7 123.0(3) . . ?
C5 C6 C7 119.7(3) . . ?
N1 C7 C6 121.2(3) . . ?
N1 C7 C71 120.2(3) . . ?
C6 C7 C71 118.6(3) . . ?
N1 C8 C9 110.0(3) . . ?
N2 C9 C8 106.8(3) . . ?
N2 C10 C11 120.6(3) . . ?
N2 C10 C101 123.2(3) . . ?
C11 C10 C101 116.2(3) . . ?
C16 C11 C12 118.9(3) . . ?
C16 C11 C10 119.8(3) . . ?
C12 C11 C10 121.2(3) . . ?
C11 C12 C13 121.1(3) . . ?
C14 C13 C12 118.0(3) . . ?
C14 C13 C131 121.8(4) . . ?
C12 C13 C131 120.2(4) . . ?
C13 C14 C15 121.8(4) . . ?
C14 C15 C16 119.5(4) . . ?
C15 C16 C11 120.6(3) . . ?
C15 C16 O2 120.4(3) . . ?
C11 C16 O2 118.8(3) . . ?
O2 C17 Co 117.2(2) . . ?
N3 C22 C23 123.1(3) . . ?
C22 C23 C24 119.6(4) . . ?
C23 C24 C25 118.2(4) . . ?
C26 C25 C24 118.8(4) . . ?
N3 C26 C25 123.2(4) . . ?
C7 N1 C8 119.2(3) . . ?
C7 N1 Co 128.6(2) . . ?
C8 N1 Co 112.2(2) . . ?
C10 N2 C9 120.1(3) . . ?
C10 N2 Co 132.2(3) . . ?
C9 N2 Co 107.7(2) . . ?
C26 N3 C22 117.1(3) . . ?
C26 N3 Co 122.2(2) . . ?
C22 N3 Co 120.3(2) . . ?
C1 O1 Co 125.2(2) . . ?
C16 O2 C17 114.0(3) . . ?
O6 Cl1 O3 111.6(3) . . ?
O6 Cl1 O5 111.5(2) . . ?
O3 Cl1 O5 110.0(2) . . ?
O6 Cl1 O4 108.5(2) . . ?
O3 Cl1 O4 107.1(2) . . ?
O5 Cl1 O4 108.0(2) . . ?
O1 Co N1 93.37(12) . . ?
O1 Co N2 178.05(12) . . ?
N1 Co N2 86.16(13) . . ?
O1 Co C17 89.06(13) . . ?
N1 Co C17 90.60(14) . . ?
N2 Co C17 92.84(14) . . ?
O1 Co N3 85.84(11) . . ?
N1 Co N3 172.76(11) . . ?
N2 Co N3 94.39(12) . . ?
C17 Co N3 96.58(14) . . ?
O1 Co O1W 88.02(8) . . ?
N1 Co O1W 85.53(9) . . ?
N2 Co O1W 90.05(9) . . ?
C17 Co O1W 175.00(11) . . ?
N3 Co O1W 87.25(8) . . ?
Cl2 C27 Cl3 112.2(3) . . ?
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
C1 O1 1.334(4) . ?
C1 C2 1.408(5) . ?
C1 C6 1.414(5) . ?
C2 C3 1.389(5) . ?
C3 C4 1.404(5) . ?
C4 C5 1.376(5) . ?
C4 C41 1.511(5) . ?
C5 C6 1.430(5) . ?
C6 C7 1.467(5) . ?
C7 N1 1.300(5) . ?
C7 C71 1.504(5) . ?
C8 N1 1.486(4) . ?
C8 C9 1.516(5) . ?
C9 N2 1.480(5) . ?
C10 N2 1.289(5) . ?
C10 C11 1.482(5) . ?
C10 C101 1.512(5) . ?
C11 C16 1.389(5) . ?
C11 C12 1.403(5) . ?
C12 C13 1.403(5) . ?
C13 C14 1.382(5) . ?
C13 C131 1.515(5) . ?
C14 C15 1.385(5) . ?
C15 C16 1.388(5) . ?
C16 O2 1.392(4) . ?
C17 O2 1.430(4) . ?
C17 Co 1.965(3) . ?
C22 N3 1.357(4) . ?
C22 C23 1.371(5) . ?
C23 C24 1.390(6) . ?
C24 C25 1.392(6) . ?
C25 C26 1.391(5) . ?
C26 N3 1.344(4) . ?
N1 Co 1.894(3) . ?
N2 Co 1.929(3) . ?
N3 Co 1.977(3) . ?
O1 Co 1.867(2) . ?
O3 Cl1 1.424(4) . ?
O4 Cl1 1.464(3) . ?
O5 Cl1 1.445(3) . ?
O6 Cl1 1.411(3) . ?
Co O1W 2.2130(9) . ?
C27 Cl2 1.751(5) . ?
C27 Cl3 1.781(5) . ?
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
O1 C1 C2 C3 177.1(3) . . . . ?
C6 C1 C2 C3 -0.3(5) . . . . ?
C1 C2 C3 C4 0.2(5) . . . . ?
C2 C3 C4 C5 0.5(5) . . . . ?
C2 C3 C4 C41 178.6(3) . . . . ?
C3 C4 C5 C6 -1.1(5) . . . . ?
C41 C4 C5 C6 -179.1(3) . . . . ?
O1 C1 C6 C5 -177.5(3) . . . . ?
C2 C1 C6 C5 -0.2(5) . . . . ?
O1 C1 C6 C7 -0.1(5) . . . . ?
C2 C1 C6 C7 177.2(3) . . . . ?
C4 C5 C6 C1 0.9(5) . . . . ?
C4 C5 C6 C7 -176.6(3) . . . . ?
C1 C6 C7 N1 13.5(5) . . . . ?
C5 C6 C7 N1 -169.1(3) . . . . ?
C1 C6 C7 C71 -167.2(4) . . . . ?
C5 C6 C7 C71 10.2(5) . . . . ?
N1 C8 C9 N2 37.1(4) . . . . ?
N2 C10 C11 C16 50.1(5) . . . . ?
C101 C10 C11 C16 -127.7(4) . . . . ?
N2 C10 C11 C12 -133.8(4) . . . . ?
C101 C10 C11 C12 48.4(4) . . . . ?
C16 C11 C12 C13 -2.0(5) . . . . ?
C10 C11 C12 C13 -178.1(3) . . . . ?
C11 C12 C13 C14 2.6(5) . . . . ?
C11 C12 C13 C131 -178.8(3) . . . . ?
C12 C13 C14 C15 -1.1(6) . . . . ?
C131 C13 C14 C15 -179.6(4) . . . . ?
C13 C14 C15 C16 -1.1(6) . . . . ?
C14 C15 C16 C11 1.7(6) . . . . ?
C14 C15 C16 O2 177.7(3) . . . . ?
C12 C11 C16 C15 -0.2(5) . . . . ?
C10 C11 C16 C15 175.9(3) . . . . ?
C12 C11 C16 O2 -176.3(3) . . . . ?
C10 C11 C16 O2 -0.1(5) . . . . ?
N3 C22 C23 C24 0.8(5) . . . . ?
C22 C23 C24 C25 -0.8(6) . . . . ?
C23 C24 C25 C26 -1.1(6) . . . . ?
C24 C25 C26 N3 3.3(6) . . . . ?
C6 C7 N1 C8 176.0(3) . . . . ?
C71 C7 N1 C8 -3.3(5) . . . . ?
C6 C7 N1 Co -4.1(5) . . . . ?
C71 C7 N1 Co 176.6(3) . . . . ?
C9 C8 N1 C7 166.7(3) . . . . ?
C9 C8 N1 Co -13.3(3) . . . . ?
C11 C10 N2 C9 -171.5(3) . . . . ?
C101 C10 N2 C9 6.1(5) . . . . ?
C11 C10 N2 Co 7.7(5) . . . . ?
C101 C10 N2 Co -174.7(3) . . . . ?
C8 C9 N2 C10 135.3(3) . . . . ?
C8 C9 N2 Co -44.1(3) . . . . ?
C25 C26 N3 C22 -3.3(5) . . . . ?
C25 C26 N3 Co -175.9(3) . . . . ?
C23 C22 N3 C26 1.2(5) . . . . ?
C23 C22 N3 Co 173.9(3) . . . . ?
C2 C1 O1 Co 160.8(2) . . . . ?
C6 C1 O1 Co -21.9(5) . . . . ?
C15 C16 O2 C17 96.1(4) . . . . ?
C11 C16 O2 C17 -87.8(4) . . . . ?
Co C17 O2 C16 64.1(4) . . . . ?
C1 O1 Co N1 24.1(3) . . . . ?
C1 O1 Co N2 100(3) . . . . ?
C1 O1 Co C17 -66.4(3) . . . . ?
C1 O1 Co N3 -163.1(3) . . . . ?
C1 O1 Co O1W 109.5(3) . . . . ?
C7 N1 Co O1 -11.5(3) . . . . ?
C8 N1 Co O1 168.5(2) . . . . ?
C7 N1 Co N2 170.4(3) . . . . ?
C8 N1 Co N2 -9.6(2) . . . . ?
C7 N1 Co C17 77.6(3) . . . . ?
C8 N1 Co C17 -102.4(2) . . . . ?
C7 N1 Co N3 -95.0(10) . . . . ?
C8 N1 Co N3 85.0(10) . . . . ?
C7 N1 Co O1W -99.2(3) . . . . ?
C8 N1 Co O1W 80.7(2) . . . . ?
C10 N2 Co O1 135(3) . . . . ?
C9 N2 Co O1 -45(3) . . . . ?
C10 N2 Co N1 -148.5(3) . . . . ?
C9 N2 Co N1 30.8(2) . . . . ?
C10 N2 Co C17 -58.1(3) . . . . ?
C9 N2 Co C17 121.2(2) . . . . ?
C10 N2 Co N3 38.7(3) . . . . ?
C9 N2 Co N3 -142.0(2) . . . . ?
C10 N2 Co O1W 126.0(3) . . . . ?
C9 N2 Co O1W -54.8(2) . . . . ?
O2 C17 Co O1 -164.6(3) . . . . ?
O2 C17 Co N1 102.0(3) . . . . ?
O2 C17 Co N2 15.8(3) . . . . ?
O2 C17 Co N3 -78.9(3) . . . . ?
O2 C17 Co O1W 141.1(11) . . . . ?
C26 N3 Co O1 46.5(3) . . . . ?
C22 N3 Co O1 -125.9(3) . . . . ?
C26 N3 Co N1 130.5(9) . . . . ?
C22 N3 Co N1 -41.9(11) . . . . ?
C26 N3 Co N2 -135.5(3) . . . . ?
C22 N3 Co N2 52.1(3) . . . . ?
C26 N3 Co C17 -42.1(3) . . . . ?
C22 N3 Co C17 145.5(3) . . . . ?
C26 N3 Co O1W 134.7(3) . . . . ?
C22 N3 Co O1W -37.7(2) . . . . ?
