#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:56:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179162 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/23/4312306.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_4312306
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         '(C21 H24 Cl Co N2 O2),(C H4 O)'
_chemical_formula_sum            'C22 H28 Cl Co N2 O3'
_chemical_formula_weight         462.84
_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                99.05(2)
_cell_angle_beta                 104.95(2)
_cell_angle_gamma                108.59(2)
_cell_formula_units_Z            2
_cell_length_a                   9.508(3)
_cell_length_b                   10.676(9)
_cell_length_c                   12.101(5)
_cell_measurement_reflns_used    'three frames with I>20sigma(I)'
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      'not available'
_cell_measurement_theta_min      'not available'
_cell_volume                     1085.7(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(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  0.0500
_diffrn_reflns_av_sigmaI/netI    0.0681
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6717
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         4.60
_diffrn_standards_decay_%        'not available'
_diffrn_standards_interval_time  'not available'
_diffrn_standards_number         'not used'
_exptl_absorpt_coefficient_mu    0.939
_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    1.416
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.670
_refine_diff_density_min         -0.620
_refine_diff_density_rms         0.132
_refine_ls_extinction_coef       0.086(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.844
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         3967
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.844
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          1.461
_refine_ls_shift/su_mean         0.031
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1502P)²+0.5889P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1623
_refine_ls_wR_factor_ref         0.1923
_reflns_number_gt                2936
_reflns_number_total             3967
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034085rsi20030127_110931_1.cif
_cod_data_source_block           meclsal_1
_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_original_cell_volume        1085.6(11)
_cod_database_code               4312306
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 0.6123(5) 0.5230(4) 1.2153(4) 0.0576(10) Uani 1 1 d . . .
C2 C 0.7624(6) 0.5554(5) 1.2952(4) 0.0671(12) Uani 1 1 d . . .
H2 H 0.8392 0.5393 1.2674 0.080 Uiso 1 1 calc R . .
C3 C 0.7983(7) 0.6112(6) 1.4149(5) 0.0779(15) Uani 1 1 d . . .
H3 H 0.8990 0.6322 1.4662 0.093 Uiso 1 1 calc R . .
C4 C 0.6859(7) 0.6364(5) 1.4601(5) 0.0754(14) Uani 1 1 d . . .
C5 C 0.5366(6) 0.5987(5) 1.3819(4) 0.0656(12) Uani 1 1 d . . .
H5 H 0.4597 0.6123 1.4111 0.079 Uiso 1 1 calc R . .
C6 C 0.4951(5) 0.5406(5) 1.2597(4) 0.0599(11) Uani 1 1 d . . .
C7 C 0.3332(6) 0.5042(5) 1.1810(4) 0.0597(10) Uani 1 1 d . . .
C8 C 0.1236(5) 0.3949(5) 0.9958(4) 0.0620(11) Uani 1 1 d . . .
H8A H 0.1239 0.4702 0.9601 0.074 Uiso 1 1 calc R . .
H8B H 0.0528 0.3867 1.0418 0.074 Uiso 1 1 calc R . .
C9 C 0.0660(5) 0.2630(5) 0.8992(5) 0.0663(12) Uani 1 1 d . . .
H9A H 0.0042 0.1873 0.9231 0.080 Uiso 1 1 calc R . .
H9B H -0.0007 0.2703 0.8269 0.080 Uiso 1 1 calc R . .
C10 C 0.1733(5) 0.1442(5) 0.7812(4) 0.0603(11) Uani 1 1 d . . .
C11 C 0.2975(6) 0.1034(4) 0.7575(4) 0.0583(10) Uani 1 1 d . . .
C12 C 0.2601(7) -0.0085(5) 0.6602(5) 0.0716(13) Uani 1 1 d . . .
H12 H 0.1562 -0.0507 0.6105 0.086 Uiso 1 1 calc R . .
C13 C 0.3679(8) -0.0586(6) 0.6349(5) 0.0791(15) Uani 1 1 d . . .
C14 C 0.5221(7) 0.0049(6) 0.7117(5) 0.0779(15) Uani 1 1 d . . .
H14 H 0.5973 -0.0285 0.6988 0.093 Uiso 1 1 calc R . .
C15 C 0.5662(7) 0.1157(5) 0.8061(5) 0.0685(12) Uani 1 1 d . . .
H15 H 0.6706 0.1561 0.8549 0.082 Uiso 1 1 calc R . .
C16 C 0.4572(5) 0.1692(4) 0.8306(4) 0.0556(10) Uani 1 1 d . . .
C17 C 0.3871(5) 0.2133(5) 1.0858(5) 0.0620(11) Uani 1 1 d . . .
H17A H 0.4212 0.1463 1.0485 0.074 Uiso 1 1 calc R . .
H17B H 0.4644 0.2595 1.1639 0.074 Uiso 1 1 calc R . .
C41 C 0.7278(9) 0.7048(7) 1.5895(5) 0.100(2) Uani 1 1 d . . .
H41A H 0.7442 0.8000 1.5992 0.150 Uiso 1 1 calc R . .
H41B H 0.8221 0.6965 1.6343 0.150 Uiso 1 1 calc R . .
H41C H 0.6436 0.6616 1.6175 0.150 Uiso 1 1 calc R . .
C71 C 0.2266(7) 0.5633(6) 1.2236(6) 0.0821(15) Uani 1 1 d . . .
H71A H 0.1669 0.5886 1.1602 0.123 Uiso 1 1 calc R . .
H71B H 0.2886 0.6427 1.2889 0.123 Uiso 1 1 calc R . .
H71C H 0.1564 0.4961 1.2488 0.123 Uiso 1 1 calc R . .
C101 C 0.0083(6) 0.0733(6) 0.6939(5) 0.0840(16) Uani 1 1 d . . .
H10A H -0.0644 0.0462 0.7360 0.126 Uiso 1 1 calc R . .
H10B H 0.0022 -0.0062 0.6402 0.126 Uiso 1 1 calc R . .
H10C H -0.0177 0.1349 0.6500 0.126 Uiso 1 1 calc R . .
C131 C 0.3196(10) -0.1807(8) 0.5329(6) 0.116(3) Uani 1 1 d . . .
H13A H 0.3269 -0.2574 0.5626 0.173 Uiso 1 1 calc R . .
H13B H 0.3877 -0.1603 0.4864 0.173 Uiso 1 1 calc R . .
H13C H 0.2132 -0.2026 0.4844 0.173 Uiso 1 1 calc R . .
N1 N 0.2827(4) 0.4237(4) 1.0742(3) 0.0532(8) Uani 1 1 d . . .
N2 N 0.2005(4) 0.2367(3) 0.8773(3) 0.0520(8) Uani 1 1 d . . .
O1 O 0.5884(3) 0.4810(3) 1.1000(2) 0.0521(7) Uani 1 1 d . . .
O2 O 0.5126(3) 0.2795(3) 0.9199(3) 0.0583(7) Uani 1 1 d . . .
Co Co 0.39290(6) 0.34738(5) 0.99488(5) 0.0495(3) Uani 1 1 d . . .
Cl Cl 0.20648(17) 0.12265(15) 1.10496(14) 0.0835(4) Uani 1 1 d . . .
C C 0.2044(9) -0.2068(8) 0.8613(8) 0.114(2) Uani 1 1 d . . .
H0A H 0.3024 -0.1323 0.9050 0.171 Uiso 1 1 calc R . .
H0B H 0.1193 -0.1762 0.8595 0.171 Uiso 1 1 calc R . .
H0C H 0.2021 -0.2381 0.7818 0.171 Uiso 1 1 calc R . .
O O 0.1888(4) -0.3133(4) 0.9158(4) 0.0858(11) Uani 1 1 d . . .
H0 H 0.2745 -0.3014 0.9624 0.129 Uiso 1 1 calc . . .
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'
Cl Cl 0.1484 0.1585 '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 118.4(4) . . ?
O1 C1 C6 122.9(4) . . ?
C2 C1 C6 118.7(4) . . ?
C3 C2 C1 121.0(5) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 121.2(5) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C5 C4 C3 117.6(5) . . ?
C5 C4 C41 121.3(6) . . ?
C3 C4 C41 121.1(5) . . ?
C4 C5 C6 122.9(5) . . ?
C4 C5 H5 118.5 . . ?
C6 C5 H5 118.6 . . ?
C1 C6 C5 118.5(4) . . ?
C1 C6 C7 121.6(4) . . ?
C5 C6 C7 119.9(5) . . ?
N1 C7 C6 120.7(4) . . ?
N1 C7 C71 119.9(4) . . ?
C6 C7 C71 119.4(4) . . ?
N1 C8 C9 110.4(4) . . ?
N1 C8 H8A 109.6 . . ?
C9 C8 H8A 109.6 . . ?
N1 C8 H8B 109.6 . . ?
C9 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
N2 C9 C8 110.1(4) . . ?
N2 C9 H9A 109.6 . . ?
C8 C9 H9A 109.6 . . ?
N2 C9 H9B 109.6 . . ?
C8 C9 H9B 109.6 . . ?
H9A C9 H9B 108.2 . . ?
N2 C10 C11 121.7(4) . . ?
N2 C10 C101 119.7(4) . . ?
C11 C10 C101 118.5(4) . . ?
C16 C11 C12 117.4(4) . . ?
C16 C11 C10 122.6(4) . . ?
C12 C11 C10 120.0(5) . . ?
C13 C12 C11 124.0(5) . . ?
C13 C12 H12 118.0 . . ?
C11 C12 H12 118.0 . . ?
C12 C13 C14 116.9(5) . . ?
C12 C13 C131 121.4(6) . . ?
C14 C13 C131 121.6(6) . . ?
C15 C14 C13 121.7(5) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 H14 119.1 . . ?
C14 C15 C16 121.6(5) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
O2 C16 C15 116.9(4) . . ?
O2 C16 C11 124.8(4) . . ?
C15 C16 C11 118.3(4) . . ?
Cl C17 Co 118.6(2) . . ?
Cl C17 H17A 107.7 . . ?
Co C17 H17A 107.7 . . ?
Cl C17 H17B 107.7 . . ?
Co C17 H17B 107.7 . . ?
H17A C17 H17B 107.1 . . ?
C4 C41 H41A 109.4 . . ?
C4 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C4 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C7 C71 H71A 109.5 . . ?
C7 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C7 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C10 C101 H10A 109.5 . . ?
C10 C101 H10B 109.5 . . ?
H10A C101 H10B 109.4 . . ?
C10 C101 H10C 109.5 . . ?
H10A C101 H10C 109.4 . . ?
H10B C101 H10C 109.4 . . ?
C13 C131 H13A 109.5 . . ?
C13 C131 H13B 109.5 . . ?
H13A C131 H13B 109.5 . . ?
C13 C131 H13C 109.5 . . ?
H13A C131 H13C 109.5 . . ?
H13B C131 H13C 109.5 . . ?
C7 N1 C8 119.4(4) . . ?
C7 N1 Co 128.9(3) . . ?
C8 N1 Co 111.4(3) . . ?
C10 N2 C9 118.1(4) . . ?
C10 N2 Co 128.8(3) . . ?
C9 N2 Co 113.1(3) . . ?
C1 O1 Co 121.4(3) . . ?
C1 O1 Co 113.5(3) . 2_667 ?
Co O1 Co 99.23(12) . 2_667 ?
C16 O2 Co 125.8(3) . . ?
O2 Co N1 176.95(14) . . ?
O2 Co N2 94.43(15) . . ?
N1 Co N2 88.39(15) . . ?
O2 Co O1 85.99(13) . . ?
N1 Co O1 91.05(14) . . ?
N2 Co O1 170.80(14) . . ?
O2 Co C17 88.91(18) . . ?
N1 Co C17 92.08(18) . . ?
N2 Co C17 93.86(18) . . ?
O1 Co C17 95.34(17) . . ?
O2 Co O1 92.64(12) . 2_667 ?
N1 Co O1 86.17(13) . 2_667 ?
N2 Co O1 90.03(14) . 2_667 ?
O1 Co O1 80.77(12) . 2_667 ?
C17 Co O1 175.69(16) . 2_667 ?
O C H0A 109.5 . . ?
O C H0B 109.4 . . ?
H0A C H0B 109.5 . . ?
O C H0C 109.5 . . ?
H0A C H0C 109.5 . . ?
H0B C H0C 109.5 . . ?
C O H0 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
C1 O1 1.332(5) . ?
C1 C2 1.400(6) . ?
C1 C6 1.406(7) . ?
C2 C3 1.382(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.397(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.377(8) . ?
C4 C41 1.509(7) . ?
C5 C6 1.407(7) . ?
C5 H5 0.9300 . ?
C6 C7 1.474(6) . ?
C7 N1 1.307(6) . ?
C7 C71 1.505(7) . ?
C8 N1 1.468(6) . ?
C8 C9 1.520(7) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 N2 1.471(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 N2 1.310(6) . ?
C10 C11 1.460(7) . ?
C10 C101 1.512(7) . ?
C11 C16 1.419(6) . ?
C11 C12 1.417(7) . ?
C12 C13 1.375(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.392(8) . ?
C13 C131 1.501(8) . ?
C14 C15 1.375(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.404(6) . ?
C15 H15 0.9300 . ?
C16 O2 1.320(5) . ?
C17 Cl 1.777(5) . ?
C17 Co 1.934(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C101 H10A 0.9603 . ?
C101 H10B 0.9603 . ?
C101 H10C 0.9603 . ?
C131 H13A 0.9600 . ?
C131 H13B 0.9600 . ?
C131 H13C 0.9600 . ?
N1 Co 1.870(4) . ?
N2 Co 1.875(4) . ?
O1 Co 1.904(3) . ?
O1 Co 2.295(3) 2_667 ?
O2 Co 1.869(3) . ?
Co O1 2.295(3) 2_667 ?
C O 1.389(7) . ?
C H0A 0.9600 . ?
C H0B 0.9600 . ?
C H0C 0.9600 . ?
O H0 0.8199 . ?
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 174.1(5) . . . . ?
C6 C1 C2 C3 -3.7(7) . . . . ?
C1 C2 C3 C4 0.3(8) . . . . ?
C2 C3 C4 C5 2.5(8) . . . . ?
C2 C3 C4 C41 -176.4(6) . . . . ?
C3 C4 C5 C6 -1.9(8) . . . . ?
C41 C4 C5 C6 177.0(5) . . . . ?
O1 C1 C6 C5 -173.5(4) . . . . ?
C2 C1 C6 C5 4.2(7) . . . . ?
O1 C1 C6 C7 4.3(7) . . . . ?
C2 C1 C6 C7 -178.0(4) . . . . ?
C4 C5 C6 C1 -1.4(7) . . . . ?
C4 C5 C6 C7 -179.3(5) . . . . ?
C1 C6 C7 N1 17.6(7) . . . . ?
C5 C6 C7 N1 -164.7(4) . . . . ?
C1 C6 C7 C71 -161.1(5) . . . . ?
C5 C6 C7 C71 16.7(7) . . . . ?
N1 C8 C9 N2 -25.7(6) . . . . ?
N2 C10 C11 C16 -6.0(7) . . . . ?
C101 C10 C11 C16 176.3(5) . . . . ?
N2 C10 C11 C12 172.2(4) . . . . ?
C101 C10 C11 C12 -5.5(7) . . . . ?
C16 C11 C12 C13 1.8(8) . . . . ?
C10 C11 C12 C13 -176.5(5) . . . . ?
C11 C12 C13 C14 1.0(8) . . . . ?
C11 C12 C13 C131 177.8(6) . . . . ?
C12 C13 C14 C15 -2.3(9) . . . . ?
C131 C13 C14 C15 -179.1(6) . . . . ?
C13 C14 C15 C16 0.8(9) . . . . ?
C14 C15 C16 O2 -177.0(5) . . . . ?
C14 C15 C16 C11 2.1(7) . . . . ?
C12 C11 C16 O2 175.7(4) . . . . ?
C10 C11 C16 O2 -6.0(7) . . . . ?
C12 C11 C16 C15 -3.3(7) . . . . ?
C10 C11 C16 C15 175.0(4) . . . . ?
C6 C7 N1 C8 -177.0(4) . . . . ?
C71 C7 N1 C8 1.7(6) . . . . ?
C6 C7 N1 Co -3.7(6) . . . . ?
C71 C7 N1 Co 175.0(4) . . . . ?
C9 C8 N1 C7 -158.4(4) . . . . ?
C9 C8 N1 Co 27.2(5) . . . . ?
C11 C10 N2 C9 -174.8(4) . . . . ?
C101 C10 N2 C9 2.9(7) . . . . ?
C11 C10 N2 Co 6.5(7) . . . . ?
C101 C10 N2 Co -175.8(4) . . . . ?
C8 C9 N2 C10 -165.9(4) . . . . ?
C8 C9 N2 Co 13.0(5) . . . . ?
C2 C1 O1 Co 145.2(4) . . . . ?
C6 C1 O1 Co -37.1(5) . . . . ?
C2 C1 O1 Co -96.8(4) . . . 2_667 ?
C6 C1 O1 Co 81.0(4) . . . 2_667 ?
C15 C16 O2 Co -164.4(3) . . . . ?
C11 C16 O2 Co 16.6(6) . . . . ?
C16 O2 Co N1 -170(2) . . . . ?
C16 O2 Co N2 -13.0(4) . . . . ?
C16 O2 Co O1 176.3(3) . . . . ?
C16 O2 Co C17 80.8(4) . . . . ?
C16 O2 Co O1 -103.2(3) . . . 2_667 ?
C7 N1 Co O2 -33(3) . . . . ?
C8 N1 Co O2 141(3) . . . . ?
C7 N1 Co N2 169.6(4) . . . . ?
C8 N1 Co N2 -16.6(3) . . . . ?
C7 N1 Co O1 -19.5(4) . . . . ?
C8 N1 Co O1 154.2(3) . . . . ?
C7 N1 Co C17 75.8(4) . . . . ?
C8 N1 Co C17 -110.4(3) . . . . ?
C7 N1 Co O1 -100.2(4) . . . 2_667 ?
C8 N1 Co O1 73.5(3) . . . 2_667 ?
C10 N2 Co O2 1.7(4) . . . . ?
C9 N2 Co O2 -177.1(3) . . . . ?
C10 N2 Co N1 -179.5(4) . . . . ?
C9 N2 Co N1 1.7(3) . . . . ?
C10 N2 Co O1 93.9(9) . . . . ?
C9 N2 Co O1 -84.9(9) . . . . ?
C10 N2 Co C17 -87.5(4) . . . . ?
C9 N2 Co C17 93.7(3) . . . . ?
C10 N2 Co O1 94.3(4) . . . 2_667 ?
C9 N2 Co O1 -84.5(3) . . . 2_667 ?
C1 O1 Co O2 -141.8(3) . . . . ?
Co O1 Co O2 93.33(13) 2_667 . . . ?
C1 O1 Co N1 38.9(3) . . . . ?
Co O1 Co N1 -85.95(14) 2_667 . . . ?
C1 O1 Co N2 125.3(8) . . . . ?
Co O1 Co N2 0.4(8) 2_667 . . . ?
C1 O1 Co C17 -53.3(3) . . . . ?
Co O1 Co C17 -178.14(16) 2_667 . . . ?
C1 O1 Co O1 124.9(3) . . . 2_667 ?
Co O1 Co O1 0.0 2_667 . . 2_667 ?
Cl C17 Co O2 -136.7(3) . . . . ?
Cl C17 Co N1 46.2(3) . . . . ?
Cl C17 Co N2 -42.3(3) . . . . ?
Cl C17 Co O1 137.4(3) . . . . ?
Cl C17 Co O1 112.2(19) . . . 2_667 ?
