#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:40:08 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179591 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/56/4505677.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_4505677
loop_
_publ_author_name
'Soldatov, D. V.'
'Zanina, A. S.'
'Enright, G. D.'
'Ratcliffe, C. I.'
'Ripmeester, J. A.'
_publ_section_title
;
 A New Bridging Chelating Ligand for Crystal Engineering: 
 Synthesis, Polymorphism, and Two Modes of Assembly of
 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in
 Either Discrete or Polymeric Complexes
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1005
_journal_paper_doi               10.1021/cg030016b
_journal_volume                  3
_journal_year                    2003
_chemical_formula_moiety         '[Co3Py6L3]*4.84(CHCl3)'
_chemical_formula_sum            'C106.84 H82.84 Cl14.53 Co3 N6 O12'
_chemical_formula_weight         2334.49
_chemical_name_systematic
; 
 Tris(mu!2$-(1,4-bis(3-phenyl-1,3-propanediono)benzene))-hexapyridine-tri-cobalt(II), clathrate with Chloroform (1:4.84) 
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                120.00
_cell_formula_units_Z            6
_cell_length_a                   24.665(3)
_cell_length_b                   24.665(3)
_cell_length_c                   30.702(4)
_cell_measurement_reflns_used    'all data'
_cell_measurement_temperature    173(2)
_cell_volume                     16176(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart CCD'
_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  0.0548
_diffrn_reflns_av_sigmaI/netI    0.0387
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            68557
_diffrn_reflns_theta_full        29.62
_diffrn_reflns_theta_max         29.62
_diffrn_reflns_theta_min         1.16
_exptl_absorpt_coefficient_mu    0.878
_exptl_absorpt_correction_T_max  0.8193
_exptl_absorpt_correction_T_min  0.5637
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7139
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.759
_refine_diff_density_min         -0.435
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         10111
_refine_ls_number_restraints     854
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.1027
_refine_ls_R_factor_gt           0.0573
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1064P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1505
_refine_ls_wR_factor_ref         0.1703
_reflns_number_gt                6152
_reflns_number_total             10111
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg030016b_s1.cif
_cod_data_source_block           cotk1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1064P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1064P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               4505677
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co Co 0.399177(14) 0.294520(14) 0.027723(13) 0.03751(12) Uani 1 d . . .
O1 O 0.31141(7) 0.21830(7) 0.02676(6) 0.0396(4) Uani 1 d . . .
C1 C 0.29897(10) 0.16245(10) 0.03234(8) 0.0336(5) Uani 1 d . . .
C11 C 0.23124(10) 0.11570(10) 0.04066(8) 0.0330(5) Uani 1 d . . .
C12 C 0.19519(11) 0.13595(11) 0.06295(9) 0.0383(5) Uani 1 d . . .
H12 H 0.2133 0.1786 0.0712 0.046 Uiso 1 calc R . .
C13 C 0.13329(11) 0.09421(13) 0.07302(10) 0.0470(6) Uani 1 d . . .
H13 H 0.1093 0.1083 0.0885 0.056 Uiso 1 calc R . .
C14 C 0.10618(12) 0.03214(13) 0.06066(11) 0.0493(7) Uani 1 d . . .
H14 H 0.0638 0.0035 0.0679 0.059 Uiso 1 calc R . .
C15 C 0.14110(12) 0.01181(12) 0.03767(10) 0.0468(6) Uani 1 d . . .
H15 H 0.1221 -0.0306 0.0284 0.056 Uiso 1 calc R . .
C16 C 0.20352(11) 0.05293(11) 0.02810(9) 0.0385(5) Uani 1 d . . .
H16 H 0.2275 0.0384 0.0130 0.046 Uiso 1 calc R . .
C2 C 0.34224(10) 0.14128(11) 0.03326(9) 0.0384(5) Uani 1 d . . .
H2 H 0.3262 0.0979 0.0382 0.046 Uiso 1 calc R . .
O3 O 0.43511(7) 0.23690(8) 0.01855(7) 0.0439(4) Uani 1 d . . .
C3 C 0.40716(10) 0.17876(11) 0.02747(9) 0.0357(5) Uani 1 d . . .
C31 C 0.44826(10) 0.15031(10) 0.03202(9) 0.0351(5) Uani 1 d . . .
C32 C 0.42552(11) 0.08725(12) 0.03974(10) 0.0435(6) Uani 1 d . . .
H32 H 0.3817 0.0599 0.0427 0.052 Uiso 1 calc R . .
C33 C 0.46567(11) 0.06336(11) 0.04317(10) 0.0434(6) Uani 1 d . . .
H33 H 0.4489 0.0199 0.0484 0.052 Uiso 1 calc R . .
C34 C 0.52981(11) 0.10181(11) 0.03906(9) 0.0361(5) Uani 1 d . . .
C35 C 0.55230(12) 0.16466(13) 0.03209(13) 0.0607(9) Uani 1 d . . .
H35 H 0.5962 0.1921 0.0299 0.073 Uiso 1 calc R . .
C36 C 0.51227(12) 0.18889(12) 0.02824(13) 0.0587(9) Uani 1 d . . .
H36 H 0.5291 0.2323 0.0230 0.070 Uiso 1 calc R . .
O4 O 0.63037(8) 0.11690(8) 0.02812(7) 0.0485(5) Uani 1 d . . .
C4 C 0.57585(11) 0.07881(11) 0.04126(9) 0.0366(5) Uani 1 d . . .
C5 C 0.55637(12) 0.01866(12) 0.05737(10) 0.0427(6) Uani 1 d . . .
H5 H 0.5154 -0.0040 0.0693 0.051 Uiso 1 calc R . .
O6 O 0.64761(8) 0.01285(8) 0.04262(6) 0.0413(4) Uani 1 d . . .
C6 C 0.59255(11) -0.01086(11) 0.05728(8) 0.0358(5) Uani 1 d . . .
C61 C 0.56476(12) -0.07631(11) 0.07518(9) 0.0407(6) Uani 1 d . . .
C62 C 0.50618(16) -0.10824(15) 0.09475(14) 0.0682(10) Uani 1 d . . .
H62 H 0.4815 -0.0887 0.0970 0.082 Uiso 1 calc R . .
C63 C 0.4835(2) -0.16775(18) 0.11093(17) 0.0865(13) Uani 1 d . . .
H63 H 0.4433 -0.1888 0.1242 0.104 Uiso 1 calc R . .
C64 C 0.51846(19) -0.19720(15) 0.10809(13) 0.0692(10) Uani 1 d . . .
H64 H 0.5026 -0.2383 0.1192 0.083 Uiso 1 calc R . .
C65 C 0.57674(17) -0.16616(15) 0.08887(12) 0.0616(9) Uani 1 d . . .
H65 H 0.6011 -0.1861 0.0867 0.074 Uiso 1 calc R . .
C66 C 0.60000(8) -0.10595(7) 0.07265(6) 0.0509(7) Uani 1 d . . .
H66 H 0.6404 -0.0848 0.0597 0.061 Uiso 1 calc R . .
N7 N 0.39628(8) 0.30521(7) -0.04214(6) 0.0488(6) Uani 1 d R . .
C71 C 0.33965(8) 0.27577(7) -0.06442(6) 0.0646(9) Uani 1 d R . .
H71 H 0.3014 0.2529 -0.0489 0.077 Uiso 1 calc R . .
C72 C 0.3394(3) 0.2801(2) -0.10953(16) 0.0956(15) Uani 1 d . . .
H72 H 0.3009 0.2599 -0.1250 0.115 Uiso 1 calc R . .
C73 C 0.3956(3) 0.3141(3) -0.13211(17) 0.1061(17) Uani 1 d . . .
H73 H 0.3956 0.3178 -0.1629 0.127 Uiso 1 calc R . .
C74 C 0.4502(3) 0.3418(2) -0.10962(17) 0.1007(16) Uani 1 d . . .
H74 H 0.4890 0.3644 -0.1246 0.121 Uiso 1 calc R . .
C75 C 0.4491(2) 0.33684(16) -0.06540(13) 0.0706(10) Uani 1 d . . .
H75 H 0.4878 0.3569 -0.0502 0.085 Uiso 1 calc R . .
N8 N 0.40347(13) 0.28057(12) 0.09759(9) 0.0567(7) Uani 1 d . . .
C81 C 0.4527(3) 0.2814(3) 0.11518(16) 0.0995(16) Uani 1 d . . .
H81 H 0.4881 0.2912 0.0976 0.119 Uiso 1 calc R . .
C82 C 0.4534(4) 0.2679(4) 0.1595(2) 0.141(3) Uani 1 d U . .
H82 H 0.4893 0.2693 0.1720 0.169 Uiso 1 calc R . .
C83 C 0.4024(4) 0.2529(3) 0.18434(19) 0.127(2) Uani 1 d U . .
H83 H 0.4019 0.2428 0.2143 0.153 Uiso 1 calc R . .
C84 C 0.3530(3) 0.2522(2) 0.16658(15) 0.1031(17) Uani 1 d . . .
H84 H 0.3170 0.2419 0.1837 0.124 Uiso 1 calc R . .
C85 C 0.3544(2) 0.26652(17) 0.12342(12) 0.0702(10) Uani 1 d . . .
H85 H 0.3190 0.2665 0.1112 0.084 Uiso 1 calc R . .
C1G C 0.5687(3) 0.4697(3) 0.1610(2) 0.0839(19) Uiso 0.410(7) d PD A -1
H1G H 0.5415 0.4401 0.1378 0.101 Uiso 0.410(7) calc PR A -1
Cl1G Cl 0.6470(4) 0.4938(4) 0.1502(3) 0.153(3) Uani 0.410(7) d PDU A -1
Cl2G Cl 0.54866(18) 0.4322(4) 0.2114(3) 0.196(5) Uani 0.410(7) d PDU A -1
Cl3G Cl 0.5594(2) 0.5353(2) 0.16187(18) 0.1197(18) Uani 0.410(7) d PDU A -1
C1H C 0.5932(4) 0.4874(3) 0.1532(3) 0.0839(19) Uiso 0.272(7) d PD B -2
H1H H 0.5794 0.4884 0.1227 0.101 Uiso 0.272(7) calc PR B -2
Cl1H Cl 0.6729(4) 0.5119(4) 0.1541(3) 0.127(4) Uani 0.272(7) d PDU B -2
Cl2H Cl 0.5518(3) 0.4115(2) 0.1740(5) 0.163(4) Uani 0.272(7) d PDU B -2
Cl3H Cl 0.5800(5) 0.5373(3) 0.1863(4) 0.166(4) Uani 0.272(7) d PDU B -2
C1I C 0.5767(2) 0.5169(4) 0.19027(15) 0.0839(19) Uiso 0.269(4) d PD C -3
H1I H 0.5802 0.5581 0.1974 0.101 Uiso 0.269(4) calc PR C -3
Cl1I Cl 0.64678(19) 0.5294(4) 0.16730(17) 0.119(2) Uani 0.269(4) d PDU C -3
Cl2I Cl 0.56074(18) 0.4724(2) 0.23770(13) 0.0807(14) Uani 0.269(4) d PDU C -3
Cl3I Cl 0.5163(2) 0.4770(5) 0.15275(16) 0.152(3) Uani 0.269(4) d PDU C -3
C1J C 0.0251(13) 0.0232(16) 0.2108(17) 0.0839(19) Uiso 0.043(5) d PD D -1
H1J H 0.0362 0.0530 0.1858 0.101 Uiso 0.043(5) calc PR D -1
Cl1J Cl 0.000(2) -0.052(2) 0.191(2) 0.18(3) Uani 0.043(5) d PDU D -1
Cl2J Cl -0.0351(9) 0.0224(11) 0.2413(9) 0.158(7) Uani 0.043(5) d PDU D -1
Cl3J Cl 0.090(2) 0.046(6) 0.244(4) 0.5(3) Uani 0.043(5) d PDU D -1
C1K C 0.0327(8) 0.0143(8) 0.2073(5) 0.0839(19) Uiso 0.123(4) d PD E -2
H1K H 0.0774 0.0473 0.2117 0.101 Uiso 0.123(4) calc PR E -2
Cl1K Cl -0.0093(17) 0.0027(17) 0.2554(3) 0.104(8) Uani 0.123(4) d PDU E -2
Cl2K Cl -0.0006(11) 0.0374(10) 0.1663(5) 0.130(7) Uani 0.123(4) d PDU E -2
Cl3K Cl 0.0283(14) -0.0560(11) 0.1921(6) 0.182(10) Uani 0.123(4) d PDU E -2
C1L C -0.0155(5) -0.0022(6) 0.2068(3) 0.0839(19) Uiso 0.155(4) d PD F -3
H1L H -0.0601 -0.0125 0.2045 0.101 Uiso 0.155(4) calc PR F -3
Cl1L Cl 0.0179(7) 0.0102(8) 0.1550(2) 0.097(7) Uani 0.155(4) d PDU F -3
Cl2L Cl -0.0113(18) -0.0636(7) 0.2317(5) 0.195(11) Uani 0.155(4) d PDU F -3
Cl3L Cl 0.0274(9) 0.0656(6) 0.2378(4) 0.135(5) Uani 0.155(4) d PDU F -3
C1M C 0.0000 0.0000 0.1713(16) 0.0839(19) Uiso 0.034(7) d SPD . 4
H1M H 0.0000 0.0000 0.1387 0.101 Uiso 0.034(7) calc SPR . 4
Cl1M Cl 0.0582(14) -0.014(2) 0.1907(16) 0.103(19) Uani 0.034(7) d PDU . 4
C1N C 0.0347(5) 0.0366(5) 0.3974(2) 0.0839(19) Uiso 0.261(3) d PD G -1
H1N H 0.0812 0.0630 0.3943 0.101 Uiso 0.261(3) calc PR G -1
Cl1N Cl 0.0160(5) 0.0050(6) 0.44976(15) 0.118(4) Uani 0.261(3) d PDU G -1
Cl2N Cl 0.0058(12) -0.0242(7) 0.3594(3) 0.264(8) Uani 0.261(3) d PDU G -1
Cl3N Cl -0.0003(6) 0.0820(5) 0.3884(3) 0.142(4) Uani 0.261(3) d PDU G -1
C1P C 0.0000 0.0000 0.3526(4) 0.0839(19) Uiso 0.205(7) d SPD . 2
H1P H 0.0000 0.0000 0.3201 0.101 Uiso 0.205(7) calc SPR . 2
Cl1P Cl -0.0029(8) 0.0650(4) 0.3722(3) 0.120(5) Uani 0.205(7) d PDU . 2
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'
O O 0.0106 0.0060 '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'
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
O4 Co O6 88.83(7) 3_665 3_665
O4 Co O3 90.23(7) 3_665 .
O6 Co O3 174.89(8) 3_665 .
O4 Co O1 179.31(7) 3_665 .
O6 Co O1 91.75(7) 3_665 .
O3 Co O1 89.22(7) . .
O4 Co N7 88.81(8) 3_665 .
O6 Co N7 94.99(7) 3_665 .
O3 Co N7 90.01(7) . .
O1 Co N7 90.77(7) . .
O4 Co N8 91.44(10) 3_665 .
O6 Co N8 87.66(9) 3_665 .
O3 Co N8 87.34(9) . .
O1 Co N8 88.96(9) . .
N7 Co N8 177.34(8) . .
C1 O1 Co 124.78(14) . .
O1 C1 C2 126.3(2) . .
O1 C1 C11 115.47(19) . .
C2 C1 C11 118.1(2) . .
C12 C11 C16 119.0(2) . .
C12 C11 C1 118.1(2) . .
C16 C11 C1 122.9(2) . .
C13 C12 C11 120.4(2) . .
C14 C13 C12 120.4(2) . .
C13 C14 C15 119.7(2) . .
C16 C15 C14 120.4(2) . .
C15 C16 C11 120.0(2) . .
C1 C2 C3 125.6(2) . .
C3 O3 Co 125.28(15) . .
O3 C3 C2 124.5(2) . .
O3 C3 C31 115.81(19) . .
C2 C3 C31 119.7(2) . .
C36 C31 C32 118.0(2) . .
C36 C31 C3 118.5(2) . .
C32 C31 C3 123.5(2) . .
C31 C32 C33 121.1(2) . .
C34 C33 C32 121.1(2) . .
C35 C34 C33 117.7(2) . .
C35 C34 C4 118.5(2) . .
C33 C34 C4 123.9(2) . .
C34 C35 C36 121.6(2) . .
C31 C36 C35 120.6(2) . .
C4 O4 Co 127.32(15) . 2_655
O4 C4 C5 125.1(2) . .
O4 C4 C34 115.4(2) . .
C5 C4 C34 119.4(2) . .
C4 C5 C6 125.3(2) . .
C6 O6 Co 126.08(15) . 2_655
O6 C6 C5 125.1(2) . .
O6 C6 C61 115.7(2) . .
C5 C6 C61 119.2(2) . .
C66 C61 C62 118.2(2) . .
C66 C61 C6 118.3(2) . .
C62 C61 C6 123.5(2) . .
C63 C62 C61 120.9(3) . .
C62 C63 C64 120.7(4) . .
C65 C64 C63 119.2(3) . .
C64 C65 C66 120.4(3) . .
C65 C66 C61 120.6(2) . .
C75 N7 C71 118.1(2) . .
C75 N7 Co 121.1(2) . .
C71 N7 Co 120.6 . .
C72 C71 N7 119.5(3) . .
C71 C72 C73 120.1(5) . .
C74 C73 C72 119.2(5) . .
C73 C74 C75 119.4(5) . .
N7 C75 C74 123.7(4) . .
C81 N8 C85 117.8(4) . .
C81 N8 Co 121.1(3) . .
C85 N8 Co 120.9(2) . .
N8 C81 C82 120.9(6) . .
C83 C82 C81 119.4(5) . .
C84 C83 C82 119.6(6) . .
C83 C84 C85 119.3(6) . .
N8 C85 C84 123.0(5) . .
Cl2G C1G Cl3G 110.1(3) . .
Cl2G C1G Cl1G 108.7(3) . .
Cl3G C1G Cl1G 108.9(3) . .
Cl1H C1H Cl2H 108.5(3) . .
Cl1H C1H Cl3H 108.8(3) . .
Cl2H C1H Cl3H 109.3(3) . .
Cl2I C1I Cl1I 109.9(3) . .
Cl2I C1I Cl3I 109.6(3) . .
Cl1I C1I Cl3I 108.9(3) . .
Cl3J C1J Cl1J 109.0(3) . .
Cl3J C1J Cl2J 109.0(3) . .
Cl1J C1J Cl2J 109.0(3) . .
Cl3K C1K Cl2K 109.0(3) . .
Cl3K C1K Cl1K 109.0(3) . .
Cl2K C1K Cl1K 109.1(3) . .
Cl1L C1L Cl3L 108.8(3) . .
Cl1L C1L Cl2L 108.8(3) . .
Cl3L C1L Cl2L 108.7(3) . .
Cl1M C1M Cl1M 109.0(3) 2 3
Cl1M C1M Cl1M 109.0(3) 2 .
Cl1M C1M Cl1M 109.0(3) 3 .
Cl2N C1N Cl1N 109.2(3) . .
Cl2N C1N Cl3N 108.9(3) . .
Cl1N C1N Cl3N 109.0(3) . .
Cl1P C1P Cl1P 108.8(3) 3 2
Cl1P C1P Cl1P 108.8(3) 3 .
Cl1P C1P Cl1P 108.8(3) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co O4 2.0207(17) 3_665
Co O6 2.0352(17) 3_665
Co O3 2.0356(17) .
Co O1 2.0376(16) .
Co N7 2.1665(18) .
Co N8 2.183(3) .
O1 C1 1.264(3) .
C1 C2 1.403(3) .
C1 C11 1.503(3) .
C11 C12 1.397(3) .
C11 C16 1.398(3) .
C12 C13 1.384(3) .
C13 C14 1.383(4) .
C14 C15 1.387(4) .
C15 C16 1.387(3) .
C2 C3 1.404(3) .
O3 C3 1.272(3) .
C3 C31 1.500(3) .
C31 C36 1.382(3) .
C31 C32 1.385(3) .
C32 C33 1.387(3) .
C33 C34 1.385(3) .
C34 C35 1.377(3) .
C34 C4 1.504(3) .
C35 C36 1.391(4) .
O4 C4 1.261(3) .
O4 Co 2.0207(17) 2_655
C4 C5 1.401(3) .
C5 C6 1.406(3) .
O6 C6 1.263(3) .
O6 Co 2.0352(17) 2_655
C6 C61 1.507(3) .
C61 C66 1.390(3) .
C61 C62 1.390(4) .
C62 C63 1.376(5) .
C63 C64 1.380(5) .
C64 C65 1.378(5) .
C65 C66 1.389(3) .
N7 C75 1.341(4) .
N7 C71 1.3899 .
C71 C72 1.390(5) .
C72 C73 1.393(8) .
C73 C74 1.356(8) .
C74 C75 1.362(7) .
N8 C81 1.319(5) .
N8 C85 1.339(5) .
C81 C82 1.403(8) .
C82 C83 1.354(10) .
C83 C84 1.327(9) .
C84 C85 1.367(6) .
C1G Cl2G 1.744(3) .
C1G Cl3G 1.745(3) .
C1G Cl1G 1.746(3) .
C1H Cl1H 1.745(3) .
C1H Cl2H 1.746(3) .
C1H Cl3H 1.746(3) .
C1I Cl2I 1.746(3) .
C1I Cl1I 1.746(3) .
C1I Cl3I 1.746(3) .
C1J Cl3J 1.746(3) .
C1J Cl1J 1.746(3) .
C1J Cl2J 1.746(3) .
C1K Cl3K 1.746(3) .
C1K Cl2K 1.746(3) .
C1K Cl1K 1.746(3) .
C1L Cl1L 1.746(3) .
C1L Cl3L 1.746(3) .
C1L Cl2L 1.747(3) .
C1M Cl1M 1.746(3) 2
C1M Cl1M 1.746(3) 3
C1M Cl1M 1.746(3) .
C1N Cl2N 1.745(3) .
C1N Cl1N 1.745(3) .
C1N Cl3N 1.746(3) .
C1P Cl1P 1.746(3) 3
C1P Cl1P 1.746(3) 2
C1P Cl1P 1.746(3) .
