#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:39:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179801 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/97/7009721.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_7009721
loop_
_publ_author_name
'Hartshorn, Richard M.'
'Telfer, Shane G.'
_publ_section_title
;
 The photodecarboxylation of [N,N-bis(2-pyridylmethyl)amino
 acidato]phenanthrolinecobalt(III) complexes: -- formation and
 decomposition of metallacyclic species †
;
_journal_issue                   16
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2801
_journal_paper_doi               10.1039/b003095n
_journal_year                    2000
_chemical_formula_sum            'C25 H22 Cl2 Co N5 O9'
_chemical_formula_weight         666.31
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.158(5)
_cell_length_b                   8.978(2)
_cell_length_c                   34.173(9)
_cell_measurement_reflns_used    -
_cell_measurement_temperature    159(2)
_cell_measurement_theta_max      -
_cell_measurement_theta_min      -
_cell_volume                     5571(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      159(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_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  0.0489
_diffrn_reflns_av_sigmaI/netI    0.0717
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            42616
_diffrn_reflns_theta_full        27.65
_diffrn_reflns_theta_max         27.65
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    0.870
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            psychedelic
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2720
_exptl_crystal_size_max          .1
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .65
_refine_diff_density_max         0.751
_refine_diff_density_min         -0.447
_refine_diff_density_rms         0.061
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.326(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.882
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     773
_refine_ls_number_reflns         11940
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.882
_refine_ls_R_factor_all          0.0763
_refine_ls_R_factor_gt           0.0431
_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)+(0.0617P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1077
_reflns_number_gt                7354
_reflns_number_total             11940
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b003095n.txt
_cod_data_source_block           stmetf
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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      Pbcm
_cod_database_code               7009721
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, 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
Co1 Co 0.11436(3) 0.25045(6) 0.456341(19) 0.03412(14) Uani 1 1 d . . .
N1 N 0.0401(2) 0.2613(4) 0.49825(12) 0.0402(10) Uani 1 1 d . . .
C1 C -0.0295(3) 0.2130(5) 0.49748(16) 0.0464(13) Uani 1 1 d . . .
H1A H -0.0476 0.1646 0.4747 0.056 Uiso 1 1 calc R . .
N1' N 0.2875(2) 0.2479(4) 0.21377(11) 0.0368(9) Uani 1 1 d . . .
C1' C 0.2175(3) 0.2933(6) 0.21544(18) 0.0486(13) Uani 1 1 d . . .
H1'A H 0.2000 0.3359 0.2391 0.058 Uiso 1 1 calc R . .
C2 C -0.0760(4) 0.2324(7) 0.5296(2) 0.0610(18) Uani 1 1 d . . .
H2A H -0.1258 0.2007 0.5278 0.073 Uiso 1 1 calc R . .
Co2 Co 0.36343(3) 0.25472(6) 0.254251(18) 0.03298(14) Uani 1 1 d . . .
C2' C 0.1694(3) 0.2813(7) 0.1844(2) 0.0569(16) Uani 1 1 d . . .
H2'A H 0.1208 0.3200 0.1861 0.068 Uiso 1 1 calc R . .
C3 C -0.0510(4) 0.2967(7) 0.5639(2) 0.0598(18) Uani 1 1 d . . .
H3A H -0.0827 0.3061 0.5859 0.072 Uiso 1 1 calc R . .
C3' C 0.1934(4) 0.2121(7) 0.1510(2) 0.0578(17) Uani 1 1 d . . .
H3'A H 0.1598 0.1976 0.1301 0.069 Uiso 1 1 calc R . .
C4 C 0.0219(3) 0.3478(5) 0.56558(16) 0.0485(14) Uani 1 1 d . . .
C4' C 0.2650(3) 0.1628(5) 0.14700(15) 0.0471(13) Uani 1 1 d . . .
C5 C 0.0542(4) 0.4187(6) 0.59807(18) 0.0616(16) Uani 1 1 d . . .
H5A H 0.0247 0.4373 0.6205 0.074 Uiso 1 1 calc R . .
C5' C 0.2955(4) 0.0875(6) 0.11260(16) 0.0615(17) Uani 1 1 d . . .
H5'A H 0.2652 0.0715 0.0903 0.074 Uiso 1 1 calc R . .
C6 C 0.1259(5) 0.4615(8) 0.5986(2) 0.072(2) Uani 1 1 d . . .
H6A H 0.1456 0.5060 0.6215 0.086 Uiso 1 1 calc R . .
C6' C 0.3674(4) 0.0399(7) 0.1123(2) 0.0540(17) Uani 1 1 d . . .
H6'A H 0.3858 -0.0126 0.0902 0.065 Uiso 1 1 calc R . .
C7 C 0.1733(3) 0.4402(6) 0.56438(15) 0.0479(14) Uani 1 1 d . . .
C7' C 0.4148(3) 0.0688(5) 0.14489(14) 0.0433(13) Uani 1 1 d . . .
C8 C 0.2473(5) 0.4764(6) 0.5628(2) 0.054(2) Uani 1 1 d . . .
H8A H 0.2703 0.5237 0.5845 0.064 Uiso 1 1 calc R . .
C8' C 0.4909(5) 0.0318(7) 0.1453(2) 0.0502(17) Uani 1 1 d . . .
H8'A H 0.5130 -0.0128 0.1230 0.060 Uiso 1 1 calc R . .
C9 C 0.2869(3) 0.4438(6) 0.53008(16) 0.0481(13) Uani 1 1 d . . .
H9A H 0.3380 0.4658 0.5289 0.058 Uiso 1 1 calc R . .
C9' C 0.5324(3) 0.0605(5) 0.17791(15) 0.0453(13) Uani 1 1 d . . .
H9'A H 0.5831 0.0348 0.1787 0.054 Uiso 1 1 calc R . .
N10 N 0.1812(2) 0.3415(4) 0.49809(11) 0.0332(9) Uani 1 1 d . . .
C10 C 0.2507(3) 0.3762(4) 0.49738(14) 0.0379(11) Uani 1 1 d . . .
H10A H 0.2784 0.3559 0.4744 0.046 Uiso 1 1 calc R . .
N10' N 0.4271(2) 0.1655(4) 0.21107(11) 0.0339(9) Uani 1 1 d . . .
C10' C 0.4981(3) 0.1290(5) 0.21030(15) 0.0386(11) Uani 1 1 d . . .
H10B H 0.5272 0.1503 0.2327 0.046 Uiso 1 1 calc R . .
C11 C 0.1418(3) 0.3706(5) 0.53179(14) 0.0350(11) Uani 1 1 d . . .
C11' C 0.3860(3) 0.1379(5) 0.17798(14) 0.0383(12) Uani 1 1 d . . .
C12 C 0.0663(3) 0.3250(5) 0.53148(14) 0.0405(12) Uani 1 1 d . . .
C12' C 0.3106(3) 0.1827(5) 0.17887(14) 0.0373(11) Uani 1 1 d . . .
N13 N 0.1536(2) 0.2101(4) 0.40595(12) 0.0378(10) Uani 1 1 d . . .
C13 C 0.0789(3) 0.1651(6) 0.40827(17) 0.0434(13) Uani 1 1 d . . .
H13A H 0.059(2) 0.046(6) 0.4081(14) 0.047(13) Uiso 1 1 d . . .
H13B H 0.051(3) 0.214(6) 0.3967(16) 0.038(17) Uiso 1 1 d . . .
N13' N 0.4055(2) 0.2911(4) 0.30445(12) 0.0354(9) Uani 1 1 d . . .
C13' C 0.3306(3) 0.3361(6) 0.30323(16) 0.0422(13) Uani 1 1 d . . .
H13C H 0.321(2) 0.440(6) 0.3059(12) 0.028(11) Uiso 1 1 d . . .
H13D H 0.304(3) 0.291(6) 0.3174(14) 0.029(14) Uiso 1 1 d . . .
C14 C 0.2112(3) 0.0937(5) 0.40683(15) 0.0458(13) Uani 1 1 d . . .
H14A H 0.2605 0.1406 0.4073 0.055 Uiso 1 1 calc R . .
H14B H 0.2078 0.0310 0.3831 0.055 Uiso 1 1 calc R . .
C14' C 0.4623(3) 0.4080(5) 0.30402(15) 0.0443(12) Uani 1 1 d . . .
H14C H 0.5119 0.3630 0.3020 0.053 Uiso 1 1 calc R . .
H14D H 0.4600 0.4676 0.3284 0.053 Uiso 1 1 calc R . .
N15 N 0.1521(2) 0.0555(4) 0.46922(13) 0.0399(10) Uani 1 1 d . . .
C15 C 0.2010(5) 0.0003(5) 0.4423(3) 0.042(2) Uani 1 1 d . . .
N15' N 0.4012(2) 0.4515(5) 0.24145(13) 0.0395(10) Uani 1 1 d . . .
C15' C 0.4470(5) 0.5049(5) 0.2690(3) 0.043(2) Uani 1 1 d . . .
C16 C 0.2348(3) -0.1363(5) 0.44750(19) 0.0573(16) Uani 1 1 d . . .
H16A H 0.2655 -0.1763 0.4276 0.069 Uiso 1 1 calc R . .
C16' C 0.4845(3) 0.6400(5) 0.26333(19) 0.0552(15) Uani 1 1 d . . .
H16B H 0.5190 0.6754 0.2821 0.066 Uiso 1 1 calc R . .
C17' C 0.4697(4) 0.7201(5) 0.2294(2) 0.0650(18) Uani 1 1 d . . .
H17A H 0.4938 0.8125 0.2250 0.078 Uiso 1 1 calc R . .
C17 C 0.2239(3) -0.2133(5) 0.48154(19) 0.0570(16) Uani 1 1 d . . .
H17B H 0.2497 -0.3035 0.4863 0.068 Uiso 1 1 calc R . .
C18 C 0.1745(4) -0.1581(6) 0.50915(19) 0.0588(16) Uani 1 1 d . . .
H18A H 0.1654 -0.2118 0.5326 0.071 Uiso 1 1 calc R . .
C18' C 0.4205(3) 0.6668(5) 0.2024(2) 0.0604(17) Uani 1 1 d . . .
H18B H 0.4094 0.7220 0.1795 0.072 Uiso 1 1 calc R . .
C19 C 0.1392(5) -0.0258(6) 0.5023(2) 0.0504(19) Uani 1 1 d . . .
H19A H 0.1048 0.0103 0.5209 0.061 Uiso 1 1 calc R . .
C19' C 0.3875(4) 0.5305(7) 0.2094(2) 0.0486(17) Uani 1 1 d . . .
H19B H 0.3538 0.4922 0.1907 0.058 Uiso 1 1 calc R . .
N20 N 0.0949(2) 0.4465(4) 0.43484(12) 0.0336(9) Uani 1 1 d . . .
C20 C 0.0556(3) 0.5568(5) 0.45164(16) 0.0367(11) Uani 1 1 d . . .
H20A H 0.0332 0.5392 0.4763 0.044 Uiso 1 1 calc R . .
N20' N 0.3436(2) 0.0572(4) 0.27557(12) 0.0359(9) Uani 1 1 d . . .
C20' C 0.3049(3) -0.0517(5) 0.25829(17) 0.0391(11) Uani 1 1 d . . .
H20B H 0.2840 -0.0354 0.2331 0.047 Uiso 1 1 calc R . .
C21 C 0.0467(3) 0.6953(5) 0.43413(15) 0.0406(12) Uani 1 1 d . . .
H21A H 0.0199 0.7725 0.4468 0.049 Uiso 1 1 calc R . .
C21' C 0.2948(3) -0.1882(5) 0.27678(16) 0.0453(13) Uani 1 1 d . . .
H21B H 0.2678 -0.2648 0.2640 0.054 Uiso 1 1 calc R . .
C22 C 0.0784(3) 0.7174(5) 0.39736(16) 0.0442(13) Uani 1 1 d . . .
H22A H 0.0731 0.8109 0.3846 0.053 Uiso 1 1 calc R . .
C22' C 0.3233(3) -0.2128(6) 0.31292(19) 0.0548(16) Uani 1 1 d . . .
H22B H 0.3148 -0.3044 0.3261 0.066 Uiso 1 1 calc R . .
C23 C 0.1175(3) 0.6049(5) 0.37932(17) 0.0442(13) Uani 1 1 d . . .
H23A H 0.1383 0.6193 0.3541 0.053 Uiso 1 1 calc R . .
C23' C 0.3653(3) -0.1017(6) 0.33034(17) 0.0479(13) Uani 1 1 d . . .
H23B H 0.3870 -0.1170 0.3553 0.057 Uiso 1 1 calc R . .
C24 C 0.1255(3) 0.4715(6) 0.3986(2) 0.0335(14) Uani 1 1 d . . .
C24' C 0.3752(4) 0.0333(7) 0.3105(2) 0.0396(14) Uani 1 1 d . . .
C25 C 0.1703(3) 0.3464(5) 0.38260(15) 0.0416(12) Uani 1 1 d . . .
H25A H 0.2234 0.3705 0.3845 0.050 Uiso 1 1 calc R . .
H25B H 0.1580 0.3296 0.3547 0.050 Uiso 1 1 calc R . .
C25' C 0.4236(3) 0.1565(5) 0.32594(15) 0.0459(13) Uani 1 1 d . . .
H25C H 0.4147 0.1713 0.3543 0.055 Uiso 1 1 calc R . .
H25D H 0.4762 0.1308 0.3221 0.055 Uiso 1 1 calc R . .
Cl1 Cl 0.05087(12) 0.2039(2) 0.04564(6) 0.0792(6) Uani 1 1 d . . .
O11 O 0.1153(4) 0.1354(7) 0.0408(4) 0.237(6) Uani 1 1 d . . .
O12 O 0.0671(5) 0.2814(9) 0.0832(2) 0.157(3) Uani 1 1 d . . .
O13 O -0.0069(3) 0.1115(8) 0.05462(19) 0.142(3) Uani 1 1 d . . .
O14 O 0.0365(3) 0.3273(7) 0.02295(18) 0.115(2) Uani 1 1 d . . .
Cl2 Cl 0.69698(12) 0.2890(2) 0.16359(6) 0.0788(6) Uani 1 1 d . . .
O21 O 0.6793(4) 0.2257(9) 0.12609(19) 0.145(3) Uani 1 1 d . . .
O22 O 0.6322(4) 0.3606(6) 0.1759(3) 0.177(4) Uani 1 1 d . . .
O23 O 0.7520(4) 0.3925(7) 0.1590(2) 0.154(3) Uani 1 1 d . . .
O24 O 0.2119(4) -0.1687(6) 0.18631(17) 0.120(2) Uani 1 1 d . . .
Cl3 Cl 0.36996(9) 0.53171(17) 0.40789(5) 0.0413(4) Uani 1 1 d . . .
O31 O 0.3012(2) 0.5931(4) 0.39401(12) 0.0584(10) Uani 1 1 d . . .
O32 O 0.4296(2) 0.5959(5) 0.38682(11) 0.0632(11) Uani 1 1 d . . .
O33 O 0.3782(3) 0.5587(5) 0.44867(11) 0.0648(12) Uani 1 1 d . . .
O34 O 0.3684(3) 0.3725(4) 0.40095(13) 0.0668(12) Uani 1 1 d . . .
Cl4 Cl 0.62002(9) -0.03056(17) 0.30051(5) 0.0392(3) Uani 1 1 d . . .
O41 O 0.5572(2) -0.0989(4) 0.31817(14) 0.0722(12) Uani 1 1 d . . .
O42 O 0.6199(3) 0.1196(5) 0.31135(18) 0.107(2) Uani 1 1 d . . .
O43 O 0.6858(2) -0.1020(5) 0.31378(12) 0.0772(13) Uani 1 1 d . . .
O44 O 0.6178(3) -0.0429(7) 0.25899(14) 0.0974(18) Uani 1 1 d . . .
OW1 O 0.3848(3) 0.1009(6) 0.4439(2) 0.122(2) Uani 1 1 d . . .
OW2 O 0.6338(3) 0.3933(6) 0.2647(2) 0.120(2) 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
N13 Co1 C13 43.5(2) . . ?
N13 Co1 N15 84.31(18) . . ?
C13 Co1 N15 87.3(2) . . ?
N13 Co1 N20 84.12(17) . . ?
C13 Co1 N20 88.7(2) . . ?
N15 Co1 N20 166.82(19) . . ?
N13 Co1 N1 157.79(18) . . ?
C13 Co1 N1 114.3(2) . . ?
N15 Co1 N1 97.03(17) . . ?
N20 Co1 N1 96.06(17) . . ?
N13 Co1 N10 119.13(17) . . ?
C13 Co1 N10 162.6(2) . . ?
N15 Co1 N10 89.59(16) . . ?
N20 Co1 N10 90.54(15) . . ?
N1 Co1 N10 83.07(17) . . ?
C1 N1 C12 119.0(5) . . ?
C1 N1 Co1 128.1(4) . . ?
C12 N1 Co1 112.9(3) . . ?
N1 C1 C2 121.1(6) . . ?
C1' N1' C12' 116.8(4) . . ?
C1' N1' Co2 129.1(4) . . ?
C12' N1' Co2 114.0(3) . . ?
N1' C1' C2' 123.1(6) . . ?
C3 C2 C1 121.4(6) . . ?
N13' Co2 C13' 43.5(2) . . ?
N13' Co2 N15' 84.57(18) . . ?
C13' Co2 N15' 87.7(2) . . ?
N13' Co2 N20' 83.88(18) . . ?
C13' Co2 N20' 87.9(2) . . ?
N15' Co2 N20' 167.10(19) . . ?
N13' Co2 N1' 157.73(17) . . ?
C13' Co2 N1' 114.2(2) . . ?
N15' Co2 N1' 96.78(16) . . ?
N20' Co2 N1' 96.08(17) . . ?
N13' Co2 N10' 119.46(17) . . ?
C13' Co2 N10' 163.0(2) . . ?
N15' Co2 N10' 89.69(16) . . ?
N20' Co2 N10' 90.99(15) . . ?
N1' Co2 N10' 82.80(16) . . ?
C3' C2' C1' 118.3(6) . . ?
C2 C3 C4 118.6(6) . . ?
C2' C3' C4' 121.9(6) . . ?
C3 C4 C5 124.9(6) . . ?
C3 C4 C12 116.9(5) . . ?
C5 C4 C12 118.2(5) . . ?
C12' C4' C3' 116.4(5) . . ?
C12' C4' C5' 117.9(5) . . ?
C3' C4' C5' 125.7(6) . . ?
C6 C5 C4 122.5(6) . . ?
C6' C5' C4' 120.6(6) . . ?
C5 C6 C7 121.1(7) . . ?
C5' C6' C7' 120.6(6) . . ?
C8 C7 C11 118.2(5) . . ?
C8 C7 C6 124.8(6) . . ?
C11 C7 C6 116.9(6) . . ?
C11' C7' C8' 117.5(5) . . ?
C11' C7' C6' 119.1(5) . . ?
C8' C7' C6' 123.4(6) . . ?
C9 C8 C7 119.6(6) . . ?
C9' C8' C7' 119.9(6) . . ?
C8 C9 C10 119.4(6) . . ?
C8' C9' C10' 118.5(6) . . ?
C10 N10 C11 118.3(4) . . ?
C10 N10 Co1 131.2(3) . . ?
C11 N10 Co1 110.5(3) . . ?
N10 C10 C9 122.2(5) . . ?
C10' N10' C11' 117.6(4) . . ?
C10' N10' Co2 131.3(3) . . ?
C11' N10' Co2 111.0(3) . . ?
N10' C10' C9' 123.4(5) . . ?
N10 C11 C7 122.4(4) . . ?
N10 C11 C12 115.9(4) . . ?
C7 C11 C12 121.7(5) . . ?
N10' C11' C7' 123.0(5) . . ?
N10' C11' C12' 116.8(4) . . ?
C7' C11' C12' 120.2(5) . . ?
N1 C12 C11 117.6(4) . . ?
N1 C12 C4 122.9(5) . . ?
C11 C12 C4 119.5(5) . . ?
C4' C12' N1' 123.4(5) . . ?
C4' C12' C11' 121.5(5) . . ?
N1' C12' C11' 115.2(4) . . ?
C13 N13 C14 118.3(4) . . ?
C13 N13 C25 117.3(4) . . ?
C14 N13 C25 116.5(4) . . ?
C13 N13 Co1 69.2(3) . . ?
C14 N13 Co1 112.4(3) . . ?
C25 N13 Co1 113.9(3) . . ?
N13 C13 Co1 67.3(3) . . ?
C13' N13' C25' 118.0(4) . . ?
C13' N13' C14' 117.9(4) . . ?
C25' N13' C14' 116.1(4) . . ?
C13' N13' Co2 68.8(3) . . ?
C25' N13' Co2 113.8(3) . . ?
C14' N13' Co2 113.2(3) . . ?
N13' C13' Co2 67.7(3) . . ?
N13 C14 C15 109.1(5) . . ?
N13' C14' C15' 106.9(4) . . ?
C19 N15 C15 118.3(5) . . ?
C19 N15 Co1 127.8(4) . . ?
C15 N15 Co1 113.8(4) . . ?
N15 C15 C16 121.4(7) . . ?
N15 C15 C14 115.1(4) . . ?
C16 C15 C14 123.4(7) . . ?
C19' N15' C15' 120.2(5) . . ?
C19' N15' Co2 127.2(4) . . ?
C15' N15' Co2 112.6(4) . . ?
N15' C15' C16' 120.8(7) . . ?
N15' C15' C14' 117.7(4) . . ?
C16' C15' C14' 121.2(7) . . ?
C17 C16 C15 119.6(6) . . ?
C17' C16' C15' 117.9(6) . . ?
C18' C17' C16' 120.4(5) . . ?
C16 C17 C18 119.4(5) . . ?
C19 C18 C17 119.5(6) . . ?
C17' C18' C19' 118.4(6) . . ?
N15 C19 C18 121.7(7) . . ?
N15' C19' C18' 122.2(7) . . ?
C20 N20 C24 118.5(5) . . ?
C20 N20 Co1 127.0(4) . . ?
C24 N20 Co1 114.5(3) . . ?
N20 C20 C21 122.4(5) . . ?
C24' N20' C20' 119.9(5) . . ?
C24' N20' Co2 113.5(4) . . ?
C20' N20' Co2 126.5(4) . . ?
N20' C20' C21' 120.7(6) . . ?
C20 C21 C22 117.8(5) . . ?
C22' C21' C20' 120.5(5) . . ?
C23 C22 C21 120.7(5) . . ?
C21' C22' C23' 118.8(5) . . ?
C24 C23 C22 118.7(6) . . ?
C22' C23' C24' 118.9(6) . . ?
C23 C24 N20 122.0(5) . . ?
C23 C24 C25 122.7(6) . . ?
N20 C24 C25 115.3(5) . . ?
N20' C24' C23' 121.0(6) . . ?
N20' C24' C25' 116.3(5) . . ?
C23' C24' C25' 122.6(6) . . ?
C24 C25 N13 108.1(4) . . ?
N13' C25' C24' 107.5(4) . . ?
O11 Cl1 O13 114.9(5) . . ?
O11 Cl1 O14 117.9(5) . . ?
O13 Cl1 O14 117.9(4) . . ?
O11 Cl1 O12 98.5(6) . . ?
O13 Cl1 O12 104.0(5) . . ?
O14 Cl1 O12 98.4(5) . . ?
O24 Cl2 O23 117.3(5) 3 . ?
O24 Cl2 O22 111.1(5) 3 . ?
O23 Cl2 O22 109.5(5) . . ?
O24 Cl2 O21 103.9(4) 3 . ?
O23 Cl2 O21 109.1(5) . . ?
O22 Cl2 O21 105.1(5) . . ?
O32 Cl3 O33 110.3(3) . . ?
O32 Cl3 O31 109.7(3) . . ?
O33 Cl3 O31 110.4(3) . . ?
O32 Cl3 O34 109.4(3) . . ?
O33 Cl3 O34 109.3(3) . . ?
O31 Cl3 O34 107.8(2) . . ?
O42 Cl4 O44 109.8(4) . . ?
O42 Cl4 O41 107.5(3) . . ?
O44 Cl4 O41 111.4(4) . . ?
O42 Cl4 O43 110.5(4) . . ?
O44 Cl4 O43 107.8(3) . . ?
O41 Cl4 O43 109.9(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
Co1 N13 1.898(4) . ?
Co1 C13 1.924(6) . ?
Co1 N15 1.931(4) . ?
Co1 N20 1.940(4) . ?
Co1 N1 1.970(4) . ?
Co1 N10 2.044(4) . ?
N1 C1 1.335(7) . ?
N1 C12 1.358(6) . ?
C1 C2 1.395(8) . ?
N1' C1' 1.338(6) . ?
N1' C12' 1.393(6) . ?
N1' Co2 1.953(4) . ?
C1' C2' 1.377(8) . ?
C2 C3 1.385(10) . ?
Co2 N13' 1.906(4) . ?
Co2 C13' 1.921(5) . ?
Co2 N15' 1.945(4) . ?
Co2 N20' 1.951(4) . ?
Co2 N10' 2.038(4) . ?
C2' C3' 1.370(9) . ?
C3 C4 1.403(8) . ?
C3' C4' 1.381(8) . ?
C4 C5 1.408(8) . ?
C4 C12 1.431(7) . ?
C4' C12' 1.380(7) . ?
C4' C5' 1.464(8) . ?
C5 C6 1.358(10) . ?
C5' C6' 1.374(9) . ?
C6 C7 1.464(9) . ?
C6' C7' 1.433(8) . ?
C7 C8 1.383(10) . ?
C7 C11 1.400(7) . ?
C7' C11' 1.392(7) . ?
C7' C8' 1.421(9) . ?
C8 C9 1.362(10) . ?
C8' C9' 1.370(9) . ?
C9 C10 1.431(7) . ?
C9' C10' 1.411(7) . ?
N10 C10 1.300(6) . ?
N10 C11 1.381(6) . ?
N10' C10' 1.330(6) . ?
N10' C11' 1.376(6) . ?
C11 C12 1.430(7) . ?
C11' C12' 1.428(7) . ?
N13 C13 1.417(7) . ?
N13 C14 1.480(6) . ?
N13 C25 1.492(6) . ?
N13' C13' 1.420(7) . ?
N13' C25' 1.452(6) . ?
N13' C14' 1.472(6) . ?
C14 C15 1.484(9) . ?
C14' C15' 1.506(9) . ?
N15 C19 1.365(8) . ?
N15 C15 1.372(9) . ?
C15 C16 1.383(7) . ?
N15' C19' 1.328(8) . ?
N15' C15' 1.344(9) . ?
C15' C16' 1.404(7) . ?
C16 C17 1.368(8) . ?
C16' C17' 1.390(8) . ?
C17' C18' 1.370(9) . ?
C17 C18 1.392(8) . ?
C18 C19 1.371(8) . ?
C18' C19' 1.384(8) . ?
N20 C20 1.349(6) . ?
N20 C24 1.378(8) . ?
C20 C21 1.389(7) . ?
N20' C24' 1.340(8) . ?
N20' C20' 1.342(7) . ?
C20' C21' 1.391(7) . ?
C21 C22 1.397(7) . ?
C21' C22' 1.357(8) . ?
C22 C23 1.379(7) . ?
C22' C23' 1.390(8) . ?
C23 C24 1.374(7) . ?
C23' C24' 1.400(8) . ?
C24 C25 1.489(7) . ?
C24' C25' 1.509(8) . ?
Cl1 O11 1.332(8) . ?
Cl1 O13 1.371(5) . ?
Cl1 O14 1.378(5) . ?
Cl1 O12 1.488(8) . ?
Cl2 O24 1.357(5) 3 ?
Cl2 O23 1.373(6) . ?
Cl2 O22 1.405(6) . ?
Cl2 O21 1.439(7) . ?
O24 Cl2 1.357(5) 3_455 ?
Cl3 O32 1.422(4) . ?
Cl3 O33 1.422(4) . ?
Cl3 O31 1.444(4) . ?
Cl3 O34 1.449(3) . ?
Cl4 O42 1.398(4) . ?
Cl4 O44 1.424(5) . ?
Cl4 O41 1.430(4) . ?
Cl4 O43 1.430(4) . ?
