#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:39:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179856 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/52/7015211.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_7015211
loop_
_publ_author_name
'Ramakrishnan, Sethu'
'Suresh, Eringadothi'
'Riyasdeen, Anvarbatcha'
'Akbarsha, Mohamad Abdulkadhar'
'Palaniandavar, Mallayan'
_publ_section_title
;
 Interaction of rac-[M(diimine)3]2+ (M=Co, Ni) complexes with CT DNA:
 role of 5,6-dmp ligand on DNA binding and cleavage and cytotoxicity.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3245
_journal_page_last               3256
_journal_paper_doi               10.1039/c0dt01360a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C42 H38 Cl2 Co N6 O9'
_chemical_formula_weight         900.61
_chemical_name_common            'Co complexes'
_chemical_name_systematic        'Co complexes'
_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                 100.416(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4103(13)
_cell_length_b                   17.8623(18)
_cell_length_c                   17.8807(18)
_cell_measurement_reflns_used    6844
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.6
_cell_volume                     3898.4(7)
_computing_cell_refinement       'BRUKER SMART'
_computing_data_collection       'BRUKER SMART'
_computing_data_reduction        'BRUKER SAINT'
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'BRUKER SMART APEX CCD DIFFRACTOMETER'
_diffrn_measurement_method       'OMEGA-PHI 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  0.0708
_diffrn_reflns_av_sigmaI/netI    0.0904
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19308
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    0.645
_exptl_absorpt_correction_T_max  0.9266
_exptl_absorpt_correction_T_min  0.7430
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER SADABS'
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCKS
_exptl_crystal_F_000             1860
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.550
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.197
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     553
_refine_ls_number_reflns         6844
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.197
_refine_ls_R_factor_all          0.1040
_refine_ls_R_factor_gt           0.0769
_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)+(0.0466P)²+5.5441P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1437
_refine_ls_wR_factor_ref         0.1528
_reflns_number_gt                5443
_reflns_number_total             6844
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01360a.txt
_cod_data_source_block           27mpsrm
_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 '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_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7015211
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.26179(5) 0.97155(3) 0.21022(4) 0.00896(18) Uani 1 1 d . . .
Cl1 Cl 0.18585(11) 0.78343(7) 0.89988(7) 0.0207(3) Uani 1 1 d . . .
Cl2 Cl -0.25468(11) 0.74756(7) 1.03315(7) 0.0192(3) Uani 1 1 d . . .
N1 N 0.3587(3) 0.9301(2) 0.1332(2) 0.0104(9) Uani 1 1 d . . .
N2 N 0.1805(3) 1.0173(2) 0.1062(2) 0.0090(9) Uani 1 1 d . . .
N3 N 0.1555(3) 0.8779(2) 0.1979(2) 0.0096(9) Uani 1 1 d . . .
N4 N 0.1509(3) 1.0000(2) 0.2827(2) 0.0084(9) Uani 1 1 d . . .
N5 N 0.3748(3) 0.9356(2) 0.3070(2) 0.0112(9) Uani 1 1 d . . .
N6 N 0.3646(3) 1.0676(2) 0.2360(2) 0.0103(9) Uani 1 1 d . . .
O1 O 0.2855(4) 0.7948(2) 0.8726(3) 0.0575(15) Uani 1 1 d . . .
O2 O 0.1614(3) 0.70435(19) 0.8955(2) 0.0248(9) Uani 1 1 d . . .
O3 O 0.1974(3) 0.8086(2) 0.97740(19) 0.0261(9) Uani 1 1 d . . .
O4 O 0.0994(4) 0.8238(2) 0.8550(2) 0.0475(13) Uani 1 1 d . . .
O5 O -0.2437(3) 0.8044(2) 1.0901(2) 0.0284(10) Uani 1 1 d . . .
O6 O -0.3312(3) 0.7703(2) 0.9678(2) 0.0369(11) Uani 1 1 d . . .
O7 O -0.2914(3) 0.6802(2) 1.0635(2) 0.0369(11) Uani 1 1 d . . .
O8 O -0.1495(3) 0.7344(2) 1.0126(2) 0.0356(11) Uani 1 1 d . . .
C1 C 0.4465(4) 0.8868(3) 0.1480(3) 0.0151(11) Uani 1 1 d . . .
H1 H 0.4695 0.8702 0.1977 0.018 Uiso 1 1 calc R . .
C2 C 0.5057(4) 0.8648(3) 0.0930(3) 0.0192(12) Uani 1 1 d . . .
H2 H 0.5663 0.8336 0.1055 0.023 Uiso 1 1 calc R . .
C3 C 0.4734(4) 0.8899(3) 0.0196(3) 0.0168(12) Uani 1 1 d . . .
H3 H 0.5130 0.8765 -0.0178 0.020 Uiso 1 1 calc R . .
C4 C 0.3807(4) 0.9359(3) 0.0014(3) 0.0113(11) Uani 1 1 d . . .
C5 C 0.3264(4) 0.9543(3) 0.0610(3) 0.0131(11) Uani 1 1 d . . .
C6 C 0.3409(4) 0.9640(3) -0.0739(3) 0.0146(11) Uani 1 1 d . . .
C7 C 0.2466(4) 1.0052(3) -0.0893(3) 0.0167(12) Uani 1 1 d . . .
C8 C 0.1902(4) 1.0256(3) -0.0279(3) 0.0134(11) Uani 1 1 d . . .
C9 C 0.2285(4) 0.9998(3) 0.0461(3) 0.0106(10) Uani 1 1 d . . .
C10 C 0.0982(4) 1.0736(3) -0.0369(3) 0.0171(12) Uani 1 1 d . . .
H10 H 0.0701 1.0930 -0.0847 0.021 Uiso 1 1 calc R . .
C11 C 0.0497(4) 1.0922(3) 0.0239(3) 0.0144(11) Uani 1 1 d . . .
H11 H -0.0103 1.1242 0.0180 0.017 Uiso 1 1 calc R . .
C12 C 0.0927(4) 1.0618(3) 0.0938(3) 0.0127(11) Uani 1 1 d . . .
H12 H 0.0586 1.0730 0.1347 0.015 Uiso 1 1 calc R . .
C13 C 0.4062(5) 0.9461(3) -0.1359(3) 0.0242(13) Uani 1 1 d . . .
H13A H 0.3877 0.8968 -0.1554 0.036 Uiso 1 1 calc R . .
H13B H 0.4831 0.9483 -0.1152 0.036 Uiso 1 1 calc R . .
H13C H 0.3891 0.9820 -0.1763 0.036 Uiso 1 1 calc R . .
C14 C 0.1981(5) 1.0288(3) -0.1688(3) 0.0244(13) Uani 1 1 d . . .
H14A H 0.2232 1.0783 -0.1779 0.037 Uiso 1 1 calc R . .
H14B H 0.1196 1.0289 -0.1749 0.037 Uiso 1 1 calc R . .
H14C H 0.2204 0.9945 -0.2043 0.037 Uiso 1 1 calc R . .
C15 C 0.1573(4) 0.8194(3) 0.1528(3) 0.0133(11) Uani 1 1 d . . .
H15 H 0.2103 0.8173 0.1221 0.016 Uiso 1 1 calc R . .
C16 C 0.0822(4) 0.7602(3) 0.1497(3) 0.0176(12) Uani 1 1 d . . .
H16 H 0.0844 0.7201 0.1169 0.021 Uiso 1 1 calc R . .
C17 C 0.0060(4) 0.7628(3) 0.1958(3) 0.0191(12) Uani 1 1 d . . .
H17 H -0.0426 0.7231 0.1955 0.023 Uiso 1 1 calc R . .
C18 C -0.0005(4) 0.8245(3) 0.2440(3) 0.0126(11) Uani 1 1 d . . .
C19 C 0.0765(4) 0.8811(3) 0.2420(2) 0.0085(10) Uani 1 1 d . . .
C20 C -0.0810(4) 0.8309(3) 0.2923(3) 0.0142(11) Uani 1 1 d . . .
C21 C -0.0857(4) 0.8948(3) 0.3341(3) 0.0160(11) Uani 1 1 d . . .
C22 C -0.0047(4) 0.9527(3) 0.3341(3) 0.0117(11) Uani 1 1 d . . .
C23 C 0.0740(4) 0.9467(3) 0.2875(3) 0.0120(11) Uani 1 1 d . . .
C24 C -0.0008(4) 1.0185(3) 0.3777(3) 0.0157(11) Uani 1 1 d . . .
H24 H -0.0517 1.0257 0.4093 0.019 Uiso 1 1 calc R . .
C25 C 0.0772(4) 1.0721(3) 0.3742(3) 0.0141(11) Uani 1 1 d . . .
H25 H 0.0804 1.1151 0.4038 0.017 Uiso 1 1 calc R . .
C26 C 0.1514(4) 1.0611(3) 0.3258(2) 0.0125(11) Uani 1 1 d . . .
H26 H 0.2037 1.0978 0.3232 0.015 Uiso 1 1 calc R . .
C27 C -0.1580(4) 0.7667(3) 0.2933(3) 0.0216(13) Uani 1 1 d . . .
H27A H -0.2005 0.7745 0.3324 0.032 Uiso 1 1 calc R . .
H27B H -0.1169 0.7211 0.3031 0.032 Uiso 1 1 calc R . .
H27C H -0.2060 0.7632 0.2449 0.032 Uiso 1 1 calc R . .
C28 C -0.1736(4) 0.9089(3) 0.3802(3) 0.0221(13) Uani 1 1 d . . .
H28A H -0.2145 0.9527 0.3614 0.033 Uiso 1 1 calc R . .
H28B H -0.1405 0.9165 0.4325 0.033 Uiso 1 1 calc R . .
H28C H -0.2219 0.8665 0.3763 0.033 Uiso 1 1 calc R . .
C29 C 0.3803(4) 0.8684(3) 0.3400(3) 0.0152(11) Uani 1 1 d . . .
H29 H 0.3286 0.8324 0.3206 0.018 Uiso 1 1 calc R . .
C30 C 0.4600(4) 0.8501(3) 0.4019(3) 0.0150(12) Uani 1 1 d . . .
H30 H 0.4621 0.8025 0.4230 0.018 Uiso 1 1 calc R . .
C31 C 0.5354(4) 0.9028(3) 0.4317(3) 0.0154(12) Uani 1 1 d . . .
H31 H 0.5888 0.8909 0.4735 0.018 Uiso 1 1 calc R . .
C32 C 0.5333(4) 0.9746(3) 0.3999(3) 0.0121(11) Uani 1 1 d . . .
C33 C 0.4509(4) 0.9875(3) 0.3367(2) 0.0097(11) Uani 1 1 d . . .
C34 C 0.6089(4) 1.0345(3) 0.4293(3) 0.0151(11) Uani 1 1 d . . .
C35 C 0.6007(4) 1.1024(3) 0.3943(3) 0.0178(12) Uani 1 1 d . . .
C36 C 0.5192(4) 1.1157(3) 0.3266(3) 0.0141(11) Uani 1 1 d . . .
C37 C 0.5112(4) 1.1823(3) 0.2846(3) 0.0183(12) Uani 1 1 d . . .
H37 H 0.5594 1.2214 0.3004 0.022 Uiso 1 1 calc R . .
C38 C 0.4334(4) 1.1902(3) 0.2207(3) 0.0162(12) Uani 1 1 d . . .
H38 H 0.4293 1.2341 0.1924 0.019 Uiso 1 1 calc R . .
C39 C 0.3602(4) 1.1319(3) 0.1983(3) 0.0159(12) Uani 1 1 d . . .
H39 H 0.3063 1.1383 0.1553 0.019 Uiso 1 1 calc R . .
C40 C 0.6950(4) 1.0186(3) 0.4987(3) 0.0201(12) Uani 1 1 d . . .
H40A H 0.7613 1.0446 0.4944 0.030 Uiso 1 1 calc R . .
H40B H 0.7091 0.9657 0.5023 0.030 Uiso 1 1 calc R . .
H40C H 0.6693 1.0353 0.5434 0.030 Uiso 1 1 calc R . .
C41 C 0.6729(5) 1.1675(3) 0.4245(3) 0.0280(14) Uani 1 1 d . . .
H41A H 0.7050 1.1585 0.4767 0.042 Uiso 1 1 calc R . .
H41B H 0.6298 1.2125 0.4210 0.042 Uiso 1 1 calc R . .
H41C H 0.7298 1.1732 0.3950 0.042 Uiso 1 1 calc R . .
C42 C 0.4436(4) 1.0586(3) 0.2986(3) 0.0101(11) Uani 1 1 d . . .
O9 O 0.0457(4) 0.6449(2) 1.0016(2) 0.0366(11) Uani 1 1 d D . .
H9C H 0.090(4) 0.663(3) 0.964(3) 0.050 Uiso 1 1 d D . .
H9D H -0.011(4) 0.683(3) 0.999(3) 0.050 Uiso 1 1 d 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
N2 Co1 N4 100.73(14) . . ?
N2 Co1 N3 91.42(14) . . ?
N4 Co1 N3 77.97(15) . . ?
N2 Co1 N1 78.45(15) . . ?
N4 Co1 N1 172.11(15) . . ?
N3 Co1 N1 94.17(15) . . ?
N2 Co1 N5 167.25(15) . . ?
N4 Co1 N5 88.88(14) . . ?
N3 Co1 N5 98.82(15) . . ?
N1 Co1 N5 93.16(15) . . ?
N2 Co1 N6 92.89(14) . . ?
N4 Co1 N6 95.98(14) . . ?
N3 Co1 N6 173.15(14) . . ?
N1 Co1 N6 91.91(15) . . ?
N5 Co1 N6 77.67(15) . . ?
O4 Cl1 O1 110.5(3) . . ?
O4 Cl1 O3 108.7(2) . . ?
O1 Cl1 O3 110.1(3) . . ?
O4 Cl1 O2 109.7(3) . . ?
O1 Cl1 O2 108.0(2) . . ?
O3 Cl1 O2 109.9(2) . . ?
O6 Cl2 O7 110.0(2) . . ?
O6 Cl2 O5 110.2(2) . . ?
O7 Cl2 O5 108.9(2) . . ?
O6 Cl2 O8 109.8(3) . . ?
O7 Cl2 O8 109.0(3) . . ?
O5 Cl2 O8 109.0(2) . . ?
C1 N1 C5 118.0(4) . . ?
C1 N1 Co1 128.1(3) . . ?
C5 N1 Co1 113.8(3) . . ?
C12 N2 C9 117.9(4) . . ?
C12 N2 Co1 128.4(3) . . ?
C9 N2 Co1 113.6(3) . . ?
C15 N3 C19 118.6(4) . . ?
C15 N3 Co1 127.5(3) . . ?
C19 N3 Co1 113.9(3) . . ?
C26 N4 C23 117.7(4) . . ?
C26 N4 Co1 127.9(3) . . ?
C23 N4 Co1 114.3(3) . . ?
C29 N5 C33 117.6(4) . . ?
C29 N5 Co1 127.4(3) . . ?
C33 N5 Co1 115.0(3) . . ?
C39 N6 C42 118.5(4) . . ?
C39 N6 Co1 128.1(3) . . ?
C42 N6 Co1 113.4(3) . . ?
N1 C1 C2 123.1(5) . . ?
C3 C2 C1 118.9(5) . . ?
C2 C3 C4 119.8(5) . . ?
C5 C4 C3 116.6(4) . . ?
C5 C4 C6 120.0(4) . . ?
C3 C4 C6 123.3(4) . . ?
N1 C5 C4 123.5(4) . . ?
N1 C5 C9 116.7(4) . . ?
C4 C5 C9 119.8(4) . . ?
C7 C6 C4 120.8(4) . . ?
C7 C6 C13 121.1(5) . . ?
C4 C6 C13 118.1(5) . . ?
C6 C7 C8 119.7(5) . . ?
C6 C7 C14 121.6(5) . . ?
C8 C7 C14 118.7(5) . . ?
C9 C8 C10 115.9(4) . . ?
C9 C8 C7 120.3(5) . . ?
C10 C8 C7 123.8(5) . . ?
N2 C9 C8 123.4(4) . . ?
N2 C9 C5 117.3(4) . . ?
C8 C9 C5 119.3(4) . . ?
C11 C10 C8 121.1(5) . . ?
C10 C11 C12 118.0(5) . . ?
N2 C12 C11 123.7(5) . . ?
N3 C15 C16 122.2(5) . . ?
C17 C16 C15 118.7(5) . . ?
C16 C17 C18 121.2(5) . . ?
C19 C18 C17 115.8(4) . . ?
C19 C18 C20 120.7(4) . . ?
C17 C18 C20 123.5(5) . . ?
N3 C19 C18 123.4(4) . . ?
N3 C19 C23 117.0(4) . . ?
C18 C19 C23 119.6(4) . . ?
C21 C20 C18 119.7(5) . . ?
C21 C20 C27 122.8(5) . . ?
C18 C20 C27 117.4(4) . . ?
C20 C21 C22 119.9(5) . . ?
C20 C21 C28 123.0(5) . . ?
C22 C21 C28 117.1(4) . . ?
C23 C22 C24 115.9(4) . . ?
C23 C22 C21 120.4(4) . . ?
C24 C22 C21 123.6(5) . . ?
N4 C23 C22 123.8(4) . . ?
N4 C23 C19 116.7(4) . . ?
C22 C23 C19 119.4(4) . . ?
C25 C24 C22 120.8(5) . . ?
C24 C25 C26 118.9(5) . . ?
N4 C26 C25 122.8(5) . . ?
N5 C29 C30 122.6(5) . . ?
C31 C30 C29 119.3(5) . . ?
C30 C31 C32 120.8(5) . . ?
C33 C32 C31 115.8(4) . . ?
C33 C32 C34 120.0(4) . . ?
C31 C32 C34 124.2(4) . . ?
N5 C33 C32 123.9(4) . . ?
N5 C33 C42 115.9(4) . . ?
C32 C33 C42 120.2(4) . . ?
C35 C34 C32 119.9(4) . . ?
C35 C34 C40 121.9(5) . . ?
C32 C34 C40 118.2(4) . . ?
C34 C35 C36 120.8(5) . . ?
C34 C35 C41 122.2(5) . . ?
C36 C35 C41 116.9(5) . . ?
C37 C36 C42 116.4(4) . . ?
C37 C36 C35 123.9(5) . . ?
C42 C36 C35 119.8(4) . . ?
C38 C37 C36 120.5(5) . . ?
C37 C38 C39 119.4(5) . . ?
N6 C39 C38 122.4(5) . . ?
N6 C42 C36 122.8(4) . . ?
N6 C42 C33 118.0(4) . . ?
C36 C42 C33 119.2(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
Co1 N2 2.113(4) . ?
Co1 N4 2.116(4) . ?
Co1 N3 2.118(4) . ?
Co1 N1 2.119(4) . ?
Co1 N5 2.120(4) . ?
Co1 N6 2.138(4) . ?
Cl1 O4 1.416(4) . ?
Cl1 O1 1.424(4) . ?
Cl1 O3 1.440(4) . ?
Cl1 O2 1.444(4) . ?
Cl2 O6 1.426(4) . ?
Cl2 O7 1.427(4) . ?
Cl2 O5 1.428(4) . ?
Cl2 O8 1.438(4) . ?
N1 C1 1.324(6) . ?
N1 C5 1.352(6) . ?
N2 C12 1.335(6) . ?
N2 C9 1.356(6) . ?
N3 C15 1.323(6) . ?
N3 C19 1.366(6) . ?
N4 C26 1.334(6) . ?
N4 C23 1.362(6) . ?
N5 C29 1.334(6) . ?
N5 C33 1.362(6) . ?
N6 C39 1.329(6) . ?
N6 C42 1.358(6) . ?
C1 C2 1.387(7) . ?
C2 C3 1.376(7) . ?
C3 C4 1.404(7) . ?
C4 C5 1.398(7) . ?
C4 C6 1.439(7) . ?
C5 C9 1.446(7) . ?
C6 C7 1.367(7) . ?
C6 C13 1.521(7) . ?
C7 C8 1.452(7) . ?
C7 C14 1.500(7) . ?
C8 C9 1.399(6) . ?
C8 C10 1.413(7) . ?
C10 C11 1.374(7) . ?
C11 C12 1.379(7) . ?
C15 C16 1.403(7) . ?
C16 C17 1.363(7) . ?
C17 C18 1.410(7) . ?
C18 C19 1.396(7) . ?
C18 C20 1.438(7) . ?
C19 C23 1.430(6) . ?
C20 C21 1.372(7) . ?
C20 C27 1.495(7) . ?
C21 C22 1.442(7) . ?
C21 C28 1.503(7) . ?
C22 C23 1.398(7) . ?
C22 C24 1.405(6) . ?
C24 C25 1.371(7) . ?
C25 C26 1.387(7) . ?
C29 C30 1.383(7) . ?
C30 C31 1.366(7) . ?
C31 C32 1.401(7) . ?
C32 C33 1.399(6) . ?
C32 C34 1.456(7) . ?
C33 C42 1.436(6) . ?
C34 C35 1.361(7) . ?
C34 C40 1.509(7) . ?
C35 C36 1.450(7) . ?
C35 C41 1.508(7) . ?
C36 C37 1.402(7) . ?
C36 C42 1.414(7) . ?
C37 C38 1.363(7) . ?
C38 C39 1.392(7) . ?
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
O9 H9C O2 0.993(19) 1.80(2) 2.788(5) 173(5) .
O9 H9D O8 0.979(19) 2.00(2) 2.938(6) 160(4) .
