#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:12:28 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179050 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/12/4301266.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_4301266
loop_
_publ_author_name
'Himanshu Arora'
'Francesc Lloret'
'Rabindranath Mukherjee'
_publ_contact_author
; Rabindranath Mukherjee
  Department of Chemistry
  Indian Institute of Technology
  Kanpur 208016
  INDIA
;
_publ_contact_author_email       rnm@iitk.ac.in
_publ_contact_author_fax         '+91 (512) 2597437'
_publ_contact_author_phone       '+91 (512) 2597437'
_publ_section_title
;
One-Dimensional CoII and CuII Coordination Polymers and a Discrete
CuII4 Complex of Carboxylate-Appended (2-Pyridyl)alkylamine Ligands:
Spin-Canting and Anti-/Ferromagnetic Coupling
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1158
_journal_page_last               1167
_journal_paper_doi               10.1021/ic800861m
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C16 H24 Cl Co N3 O9'
_chemical_formula_sum            'C16 H24 Cl Co N3 O9'
_chemical_formula_weight         496.76
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 107.108(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   15.172(5)
_cell_length_b                   9.210(5)
_cell_length_c                   15.419(5)
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      2.24
_cell_volume                     2059.2(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART APEX'
_computing_data_reduction        'Bruker SAINT PLUS'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WingX publication routine (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97(Altomare, et. al. 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0501
_diffrn_reflns_av_sigmaI/netI    0.0664
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13187
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    1.018
_exptl_absorpt_correction_T_max  0.9051
_exptl_absorpt_correction_T_min  0.8224
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1028
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.106
_refine_diff_density_min         -0.679
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         5085
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0652
_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)+(0.0665P)²+8.1297P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1452
_refine_ls_wR_factor_ref         0.1839
_reflns_number_gt                3734
_reflns_number_total             5085
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800861m_si_002_2.cif
_cod_data_source_block           7augam
_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.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' 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      'P 21/n'
_cod_database_code               4301266
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Co Co 0.72524(4) 0.13789(6) 0.33847(4) 0.01800(17) Uani 1 1 d . . .
Cl Cl 0.41564(10) 0.57120(18) 0.30186(10) 0.0445(4) Uani 1 1 d . . .
O1 O 0.7231(2) 0.3442(3) 0.2816(2) 0.0235(7) Uani 1 1 d . B .
O2 O 0.7529(2) 0.5812(3) 0.2848(2) 0.0257(7) Uani 1 1 d . . .
O3 O 0.7361(2) -0.0886(3) 0.3730(2) 0.0207(6) Uani 1 1 d . B .
O4 O 0.4799(4) 0.5140(10) 0.2623(4) 0.118(3) Uani 1 1 d . A .
O5A O 0.4522(5) 0.6040(12) 0.3950(5) 0.069(3) Uani 0.60 1 d P A 1
O6A O 0.3729(14) 0.7030(16) 0.2600(8) 0.121(6) Uani 0.50 1 d P A 1
O7A O 0.3540(15) 0.4663(18) 0.2828(9) 0.143(8) Uani 0.55 1 d P A 1
O5B O 0.4440(10) 0.6987(12) 0.3289(13) 0.096(6) Uani 0.40 1 d P A 2
O6B O 0.3269(6) 0.564(2) 0.2436(12) 0.111(6) Uani 0.50 1 d P A 2
O7B O 0.4126(11) 0.4748(16) 0.3780(11) 0.093(4) Uani 0.45 1 d P A 2
O1W O 0.6141(3) 0.7918(5) 0.4529(3) 0.0388(9) Uani 1 1 d . . .
O2W O 0.2356(4) 0.8160(7) 0.1098(4) 0.0616(13) Uani 1 1 d . . .
N1 N 0.8659(2) 0.1602(4) 0.4133(3) 0.0246(7) Uani 1 1 d . B .
N2A N 0.6792(4) 0.2301(9) 0.4514(6) 0.0246(7) Uani 0.70 1 d P B 1
N2B N 0.7002(10) 0.223(2) 0.4608(14) 0.0235(8) Uani 0.30 1 d P B 2
N3 N 0.5814(3) 0.1044(4) 0.2951(3) 0.0235(8) Uani 1 1 d . B .
C1 C 0.9281(3) 0.1951(5) 0.3721(4) 0.0333(11) Uani 1 1 d . . .
H1 H 0.9082 0.2048 0.3079 0.040 Uiso 1 1 calc R B .
C2 C 1.0204(3) 0.2181(6) 0.4168(5) 0.0413(14) Uani 1 1 d . B .
H2 H 1.0625 0.2436 0.3844 0.050 Uiso 1 1 calc R . .
C3 C 1.0493(4) 0.2032(6) 0.5095(4) 0.0408(14) Uani 1 1 d . . .
H3 H 1.1120 0.2193 0.5426 0.049 Uiso 1 1 calc R B .
C4 C 0.9862(4) 0.1644(6) 0.5537(4) 0.0389(13) Uani 1 1 d . B .
H4 H 1.0056 0.1527 0.6178 0.047 Uiso 1 1 calc R . .
C5 C 0.8938(3) 0.1422(5) 0.5051(3) 0.0298(10) Uani 1 1 d . . .
C6 C 0.8238(4) 0.1010(6) 0.5519(4) 0.0338(11) Uani 1 1 d . B .
H6A H 0.8558 0.0824 0.6168 0.041 Uiso 1 1 calc R . .
H6B H 0.7933 0.0096 0.5251 0.041 Uiso 1 1 calc R . .
C7 C 0.7507(4) 0.2170(6) 0.5447(4) 0.0350(12) Uani 1 1 d . . .
H7A H 0.7819 0.3119 0.5606 0.042 Uiso 1 1 calc R B 1
H7B H 0.7180 0.1959 0.5902 0.042 Uiso 1 1 calc R B 1
C8 C 0.5996(4) 0.1439(6) 0.4539(3) 0.0339(11) Uani 1 1 d . . .
H8A H 0.5644 0.1962 0.4890 0.041 Uiso 1 1 calc R B 1
H8B H 0.6206 0.0503 0.4847 0.041 Uiso 1 1 calc R B 1
C9 C 0.5384(3) 0.1158(5) 0.3590(3) 0.0274(10) Uani 1 1 d . B .
C10 C 0.4435(3) 0.0957(6) 0.3392(4) 0.0334(11) Uani 1 1 d . . .
H10 H 0.4139 0.1078 0.3851 0.040 Uiso 1 1 calc R B .
C11 C 0.3934(4) 0.0583(6) 0.2528(4) 0.0401(13) Uani 1 1 d . B .
H11 H 0.3287 0.0434 0.2382 0.048 Uiso 1 1 calc R . .
C12 C 0.4383(4) 0.0426(5) 0.1874(4) 0.0357(12) Uani 1 1 d . . .
H12 H 0.4053 0.0145 0.1273 0.043 Uiso 1 1 calc R B .
C13 C 0.5318(3) 0.0683(5) 0.2110(3) 0.0266(10) Uani 1 1 d . B .
H13 H 0.5623 0.0601 0.1655 0.032 Uiso 1 1 calc R . .
C14 C 0.6550(4) 0.3827(5) 0.4349(4) 0.0343(12) Uani 1 1 d . . .
H14A H 0.6400 0.4222 0.4886 0.041 Uiso 1 1 calc R B 1
H14B H 0.5984 0.3894 0.3827 0.041 Uiso 1 1 calc R B 1
C15 C 0.7295(4) 0.4786(6) 0.4153(3) 0.0377(13) Uani 1 1 d . B .
H15A H 0.7170 0.5810 0.4271 0.045 Uiso 1 1 calc R . .
H15B H 0.7900 0.4521 0.4580 0.045 Uiso 1 1 calc R . .
C16 C 0.7354(3) 0.4664(5) 0.3203(3) 0.0232(9) Uani 1 1 d . . .
H3A H 0.701(4) -0.133(6) 0.388(4) 0.032(16) Uiso 1 1 d . . .
H1W2 H 0.647(4) 0.746(7) 0.496(4) 0.030(16) Uiso 1 1 d . . .
H2W1 H 0.256(3) 0.749(5) 0.142(3) 0.006(12) Uiso 1 1 d . . .
H1W1 H 0.573(5) 0.743(9) 0.430(5) 0.06(3) Uiso 1 1 d . . .
H2W2 H 0.189(8) 0.866(13) 0.144(8) 0.16(5) Uiso 1 1 d . . .
H3B H 0.747(4) -0.127(6) 0.326(4) 0.040(16) Uiso 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 Co O2 80.36(12) . 2_645 ?
O1 Co N3 96.50(13) . . ?
O2 Co N3 95.85(14) 2_645 . ?
O1 Co N1 91.67(14) . . ?
O2 Co N1 96.63(15) 2_645 . ?
N3 Co N1 166.07(15) . . ?
O1 Co O3 168.09(13) . . ?
O2 Co O3 87.83(13) 2_645 . ?
N3 Co O3 86.17(13) . . ?
N1 Co O3 88.14(13) . . ?
O1 Co N2B 92.9(5) . . ?
O2 Co N2B 173.2(5) 2_645 . ?
N3 Co N2B 84.2(4) . . ?
N1 Co N2B 84.1(4) . . ?
O3 Co N2B 98.9(5) . . ?
O1 Co N2A 90.7(2) . . ?
O2 Co N2A 167.7(2) 2_645 . ?
N3 Co N2A 76.7(2) . . ?
N1 Co N2A 91.96(19) . . ?
O3 Co N2A 101.2(2) . . ?
N2B Co N2A 8.1(5) . . ?
O5B Cl O7A 153.7(13) . . ?
O5B Cl O6B 115.1(10) . . ?
O7A Cl O6B 47.9(10) . . ?
O5B Cl O4 106.2(10) . . ?
O7A Cl O4 99.6(10) . . ?
O6B Cl O4 111.7(6) . . ?
O5B Cl O5A 58.5(8) . . ?
O7A Cl O5A 115.1(7) . . ?
O6B Cl O5A 133.4(7) . . ?
O4 Cl O5A 114.2(4) . . ?
O5B Cl O6A 55.5(9) . . ?
O7A Cl O6A 108.8(12) . . ?
O6B Cl O6A 61.5(10) . . ?
O4 Cl O6A 113.7(7) . . ?
O5A Cl O6A 105.5(7) . . ?
O5B Cl O7B 112.2(10) . . ?
O7A Cl O7B 63.3(8) . . ?
O6B Cl O7B 103.6(11) . . ?
O4 Cl O7B 107.9(6) . . ?
O5A Cl O7B 54.4(7) . . ?
O6A Cl O7B 138.3(8) . . ?
C16 O1 Co 129.2(3) . . ?
C16 O2 Co 135.9(3) . 2_655 ?
C1 N1 C5 118.7(4) . . ?
C1 N1 Co 120.6(4) . . ?
C5 N1 Co 120.6(3) . . ?
C8 N2A C14 111.2(5) . . ?
C8 N2A C7 107.2(6) . . ?
C14 N2A C7 108.3(6) . . ?
C8 N2A Co 105.5(5) . . ?
C14 N2A Co 110.6(5) . . ?
C7 N2A Co 114.0(4) . . ?
C7 N2B C14 111.6(14) . . ?
C7 N2B C8 107.8(14) . . ?
C14 N2B C8 93.9(8) . . ?
C7 N2B Co 130.2(11) . . ?
C14 N2B Co 106.4(10) . . ?
C8 N2B Co 100.2(10) . . ?
C13 N3 C9 118.5(4) . . ?
C13 N3 Co 125.4(3) . . ?
C9 N3 Co 116.0(3) . . ?
N1 C1 C2 123.9(5) . . ?
C3 C2 C1 118.1(5) . . ?
C2 C3 C4 119.1(5) . . ?
C3 C4 C5 120.4(6) . . ?
N1 C5 C4 119.7(5) . . ?
N1 C5 C6 119.0(4) . . ?
C4 C5 C6 121.4(5) . . ?
C5 C6 C7 113.1(4) . . ?
N2B C7 C6 108.0(9) . . ?
N2B C7 N2A 8.6(10) . . ?
C6 C7 N2A 115.1(5) . . ?
N2A C8 C9 110.3(5) . . ?
N2A C8 N2B 8.6(8) . . ?
C9 C8 N2B 115.4(8) . . ?
N3 C9 C10 121.6(5) . . ?
N3 C9 C8 115.7(4) . . ?
C10 C9 C8 122.6(5) . . ?
C11 C10 C9 119.4(5) . . ?
C10 C11 C12 118.9(5) . . ?
C13 C12 C11 118.7(5) . . ?
N3 C13 C12 122.8(5) . . ?
N2A C14 C15 115.3(5) . . ?
N2A C14 N2B 10.0(8) . . ?
C15 C14 N2B 106.7(7) . . ?
C16 C15 C14 114.2(4) . . ?
O2 C16 O1 124.5(4) . . ?
O2 C16 C15 116.4(4) . . ?
O1 C16 C15 119.1(4) . . ?
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
Co O1 2.089(3) . ?
Co O2 2.089(3) 2_645 ?
Co N3 2.108(4) . ?
Co N1 2.116(4) . ?
Co O3 2.148(3) . ?
Co N2B 2.18(2) . ?
Co N2A 2.226(9) . ?
Cl O5B 1.277(11) . ?
Cl O7A 1.316(13) . ?
Cl O6B 1.383(12) . ?
Cl O4 1.396(5) . ?
Cl O5A 1.412(8) . ?
Cl O6A 1.436(11) . ?
Cl O7B 1.483(15) . ?
O1 C16 1.262(5) . ?
O2 C16 1.255(5) . ?
O2 Co 2.089(3) 2_655 ?
N1 C1 1.323(6) . ?
N1 C5 1.363(6) . ?
N2A C8 1.455(9) . ?
N2A C14 1.456(9) . ?
N2A C7 1.530(9) . ?
N2B C7 1.30(2) . ?
N2B C14 1.621(19) . ?
N2B C8 1.666(19) . ?
N3 C13 1.336(6) . ?
N3 C9 1.337(6) . ?
C1 C2 1.382(7) . ?
C2 C3 1.372(9) . ?
C3 C4 1.376(8) . ?
C4 C5 1.397(7) . ?
C5 C6 1.498(7) . ?
C6 C7 1.520(7) . ?
C8 C9 1.507(7) . ?
C9 C10 1.393(7) . ?
C10 C11 1.369(8) . ?
C11 C12 1.381(8) . ?
C12 C13 1.378(7) . ?
C14 C15 1.533(7) . ?
C15 C16 1.498(6) . ?
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
O2 Co O1 C16 -159.8(4) 2_645 . . . ?
N3 Co O1 C16 105.4(4) . . . . ?
N1 Co O1 C16 -63.3(4) . . . . ?
O3 Co O1 C16 -152.3(6) . . . . ?
N2B Co O1 C16 20.9(6) . . . . ?
N2A Co O1 C16 28.7(4) . . . . ?
O1 Co N1 C1 -53.5(4) . . . . ?
O2 Co N1 C1 27.0(4) 2_645 . . . ?
N3 Co N1 C1 -179.5(5) . . . . ?
O3 Co N1 C1 114.6(4) . . . . ?
N2B Co N1 C1 -146.2(6) . . . . ?
N2A Co N1 C1 -144.2(4) . . . . ?
O1 Co N1 C5 125.0(3) . . . . ?
O2 Co N1 C5 -154.5(3) 2_645 . . . ?
N3 Co N1 C5 -1.0(8) . . . . ?
O3 Co N1 C5 -66.9(3) . . . . ?
N2B Co N1 C5 32.3(6) . . . . ?
N2A Co N1 C5 34.3(4) . . . . ?
O1 Co N2A C8 128.0(4) . . . . ?
O2 Co N2A C8 85.3(12) 2_645 . . . ?
N3 Co N2A C8 31.5(4) . . . . ?
N1 Co N2A C8 -140.3(4) . . . . ?
O3 Co N2A C8 -51.8(4) . . . . ?
N2B Co N2A C8 -126(5) . . . . ?
O1 Co N2A C14 7.7(4) . . . . ?
O2 Co N2A C14 -35.1(13) 2_645 . . . ?
N3 Co N2A C14 -88.8(4) . . . . ?
N1 Co N2A C14 99.4(4) . . . . ?
O3 Co N2A C14 -172.1(4) . . . . ?
N2B Co N2A C14 114(5) . . . . ?
O1 Co N2A C7 -114.6(5) . . . . ?
O2 Co N2A C7 -157.4(7) 2_645 . . . ?
N3 Co N2A C7 148.8(5) . . . . ?
N1 Co N2A C7 -22.9(5) . . . . ?
O3 Co N2A C7 65.6(5) . . . . ?
N2B Co N2A C7 -8(5) . . . . ?
O1 Co N2B C7 -117.9(17) . . . . ?
O2 Co N2B C7 -123(3) 2_645 . . . ?
N3 Co N2B C7 145.8(17) . . . . ?
N1 Co N2B C7 -26.5(16) . . . . ?
O3 Co N2B C7 60.6(17) . . . . ?
N2A Co N2B C7 168(7) . . . . ?
O1 Co N2B C14 20.8(8) . . . . ?
O2 Co N2B C14 15(4) 2_645 . . . ?
N3 Co N2B C14 -75.4(8) . . . . ?
N1 Co N2B C14 112.2(8) . . . . ?
O3 Co N2B C14 -160.6(8) . . . . ?
N2A Co N2B C14 -53(5) . . . . ?
O1 Co N2B C8 118.0(7) . . . . ?
O2 Co N2B C8 113(4) 2_645 . . . ?
N3 Co N2B C8 21.8(7) . . . . ?
N1 Co N2B C8 -150.6(8) . . . . ?
O3 Co N2B C8 -63.4(7) . . . . ?
N2A Co N2B C8 44(5) . . . . ?
O1 Co N3 C13 77.1(4) . . . . ?
O2 Co N3 C13 -3.9(4) 2_645 . . . ?
N1 Co N3 C13 -157.4(5) . . . . ?
O3 Co N3 C13 -91.3(4) . . . . ?
N2B Co N3 C13 169.3(6) . . . . ?
N2A Co N3 C13 166.2(4) . . . . ?
O1 Co N3 C9 -105.4(3) . . . . ?
O2 Co N3 C9 173.6(3) 2_645 . . . ?
N1 Co N3 C9 20.1(8) . . . . ?
O3 Co N3 C9 86.2(3) . . . . ?
N2B Co N3 C9 -13.2(6) . . . . ?
N2A Co N3 C9 -16.3(4) . . . . ?
C5 N1 C1 C2 -1.6(7) . . . . ?
Co N1 C1 C2 176.9(4) . . . . ?
N1 C1 C2 C3 0.4(8) . . . . ?
C1 C2 C3 C4 0.8(8) . . . . ?
C2 C3 C4 C5 -0.7(8) . . . . ?
C1 N1 C5 C4 1.7(7) . . . . ?
Co N1 C5 C4 -176.9(3) . . . . ?
C1 N1 C5 C6 -179.3(4) . . . . ?
Co N1 C5 C6 2.2(6) . . . . ?
C3 C4 C5 N1 -0.5(7) . . . . ?
C3 C4 C5 C6 -179.6(5) . . . . ?
N1 C5 C6 C7 -64.4(6) . . . . ?
C4 C5 C6 C7 114.7(5) . . . . ?
C14 N2B C7 C6 -153.0(9) . . . . ?
C8 N2B C7 C6 105.2(10) . . . . ?
Co N2B C7 C6 -15.9(18) . . . . ?
C14 N2B C7 N2A 59(7) . . . . ?
C8 N2B C7 N2A -42(7) . . . . ?
Co N2B C7 N2A -163(9) . . . . ?
C5 C6 C7 N2B 68.7(11) . . . . ?
C5 C6 C7 N2A 73.8(6) . . . . ?
C8 N2A C7 N2B 130(8) . . . . ?
C14 N2A C7 N2B -110(8) . . . . ?
Co N2A C7 N2B 14(8) . . . . ?
C8 N2A C7 C6 95.5(6) . . . . ?
C14 N2A C7 C6 -144.5(5) . . . . ?
Co N2A C7 C6 -20.8(7) . . . . ?
C14 N2A C8 C9 78.0(7) . . . . ?
C7 N2A C8 C9 -163.8(5) . . . . ?
Co N2A C8 C9 -42.0(5) . . . . ?
C14 N2A C8 N2B -155(8) . . . . ?
C7 N2A C8 N2B -36(7) . . . . ?
Co N2A C8 N2B 85(7) . . . . ?
C7 N2B C8 N2A 135(8) . . . . ?
C14 N2B C8 N2A 21(6) . . . . ?
Co N2B C8 N2A -86(7) . . . . ?
C7 N2B C8 C9 -169.1(9) . . . . ?
C14 N2B C8 C9 76.6(11) . . . . ?
Co N2B C8 C9 -30.8(9) . . . . ?
C13 N3 C9 C10 -2.1(7) . . . . ?
Co N3 C9 C10 -179.8(4) . . . . ?
C13 N3 C9 C8 174.9(4) . . . . ?
Co N3 C9 C8 -2.8(5) . . . . ?
N2A C8 C9 N3 32.0(6) . . . . ?
N2B C8 C9 N3 24.4(9) . . . . ?
N2A C8 C9 C10 -151.1(5) . . . . ?
N2B C8 C9 C10 -158.6(8) . . . . ?
N3 C9 C10 C11 2.3(8) . . . . ?
C8 C9 C10 C11 -174.4(5) . . . . ?
C9 C10 C11 C12 -0.5(8) . . . . ?
C10 C11 C12 C13 -1.5(8) . . . . ?
C9 N3 C13 C12 0.1(7) . . . . ?
Co N3 C13 C12 177.5(4) . . . . ?
C11 C12 C13 N3 1.7(8) . . . . ?
C8 N2A C14 C15 -170.3(5) . . . . ?
C7 N2A C14 C15 72.2(7) . . . . ?
Co N2A C14 C15 -53.4(6) . . . . ?
C8 N2A C14 N2B 158(7) . . . . ?
C7 N2A C14 N2B 40(6) . . . . ?
Co N2A C14 N2B -85(6) . . . . ?
C7 N2B C14 N2A -129(7) . . . . ?
C8 N2B C14 N2A -18(5) . . . . ?
Co N2B C14 N2A 84(6) . . . . ?
C7 N2B C14 C15 81.0(13) . . . . ?
C8 N2B C14 C15 -168.0(7) . . . . ?
Co N2B C14 C15 -66.2(8) . . . . ?
N2A C14 C15 C16 78.8(7) . . . . ?
N2B C14 C15 C16 84.3(9) . . . . ?
Co O2 C16 O1 -2.5(8) 2_655 . . . ?
Co O2 C16 C15 177.3(4) 2_655 . . . ?
Co O1 C16 O2 163.6(3) . . . . ?
Co O1 C16 C15 -16.2(6) . . . . ?
C14 C15 C16 O2 142.9(5) . . . . ?
C14 C15 C16 O1 -37.3(7) . . . . ?
