#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/22/7002263.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_7002263
loop_
_publ_author_name
'Sachse, Anna'
'Demeshko, Serhiy'
'Meyer, Franc'
_publ_section_title
;
 Structural and magnetic variability of cobalt(II) complexes with
 bridging pyrazolate ligands bearing appended imine groups
;
_journal_issue                   37
_journal_name_full               'Dalton Transactions'
_journal_page_first              7756
_journal_page_last               7764
_journal_paper_doi               10.1039/b907817g
_journal_year                    2009
_chemical_formula_moiety
'C105 H123 N12 Co4 Cl5, 0.5 (C4 H8 O), C2 H3 N'
_chemical_formula_sum            'C109 H130 Cl5 Co4 N13 O0.5'
_chemical_formula_weight         2043.23
_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                90.00
_cell_angle_beta                 102.388(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.5141(4)
_cell_length_b                   22.4226(4)
_cell_length_c                   31.4461(9)
_cell_measurement_reflns_used    86436
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      25.74
_cell_measurement_theta_min      1.12
_cell_volume                     11373.0(5)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2007)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2007)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_measurement_method       ω
_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  0.1459
_diffrn_reflns_av_sigmaI/netI    0.0899
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            86436
_diffrn_reflns_theta_full        25.74
_diffrn_reflns_theta_max         25.74
_diffrn_reflns_theta_min         1.12
_exptl_absorpt_coefficient_mu    0.740
_exptl_absorpt_correction_T_max  0.8394
_exptl_absorpt_correction_T_min  0.4799
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-RED (Stoe & Cie, 2002)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4288
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.488
_refine_diff_density_min         -1.196
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1210
_refine_ls_number_reflns         21492
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0677
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1377P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1914
_refine_ls_wR_factor_ref         0.2050
_reflns_number_gt                16904
_reflns_number_total             21492
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b907817g.txt
_cod_data_source_block           as49
_cod_original_sg_symbol_H-M      P21/n
_cod_original_formula_sum        'C109 H130 Cl5 Co4 N13 O0.50'
_cod_database_code               7002263
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
Co1 Co 0.63179(3) 0.82220(2) 0.923275(15) 0.02754(13) Uani 1 1 d . . .
Co2 Co 0.48613(3) 0.73808(2) 0.812230(14) 0.02688(12) Uani 1 1 d . . .
Co3 Co 0.60840(3) 0.61810(2) 0.767673(15) 0.03081(13) Uani 1 1 d . . .
Co4 Co 0.65360(3) 0.65786(2) 0.902828(14) 0.02827(13) Uani 1 1 d . . .
Cl1 Cl 0.67048(6) 0.73423(4) 0.95834(3) 0.03234(19) Uani 1 1 d . . .
Cl2 Cl 0.50445(5) 0.66591(4) 0.87364(3) 0.03254(19) Uani 1 1 d . . .
Cl3 Cl 0.48510(6) 0.66751(4) 0.75352(3) 0.0344(2) Uani 1 1 d . . .
Cl4 Cl 0.73319(6) 0.87034(4) 0.90320(3) 0.0428(2) Uani 1 1 d . . .
Cl5 Cl 0.70055(8) 0.65951(5) 0.73652(4) 0.0540(3) Uani 1 1 d . . .
N1 N 0.51096(19) 0.82068(13) 0.89326(9) 0.0284(6) Uani 1 1 d . . .
N2 N 0.46269(18) 0.79406(12) 0.85946(9) 0.0267(6) Uani 1 1 d . . .
N3 N 0.58335(18) 0.87361(13) 0.96733(9) 0.0279(6) Uani 1 1 d . . .
N4 N 0.35093(19) 0.73419(13) 0.80283(9) 0.0305(6) Uani 1 1 d . . .
N11 N 0.62985(18) 0.57104(13) 0.82358(9) 0.0283(6) Uani 1 1 d . . .
N12 N 0.64151(19) 0.58178(13) 0.86566(9) 0.0295(6) Uani 1 1 d . . .
N13 N 0.58959(19) 0.53203(14) 0.74204(9) 0.0311(6) Uani 1 1 d . . .
N14 N 0.6367(2) 0.58823(13) 0.94986(9) 0.0318(6) Uani 1 1 d . . .
N21 N 0.61172(18) 0.74464(12) 0.82599(9) 0.0270(6) Uani 1 1 d . . .
N22 N 0.66889(18) 0.71517(13) 0.85509(9) 0.0273(6) Uani 1 1 d . . .
N23 N 0.52037(19) 0.81687(13) 0.76693(9) 0.0289(6) Uani 1 1 d . . .
N24 N 0.80293(19) 0.66394(13) 0.90523(10) 0.0308(6) Uani 1 1 d . . .
C1 C 0.3795(2) 0.82407(15) 0.90383(11) 0.0290(7) Uani 1 1 d . . .
C2 C 0.4615(2) 0.83966(15) 0.92055(11) 0.0279(7) Uani 1 1 d . . .
C3 C 0.3835(2) 0.79450(15) 0.86490(11) 0.0281(7) Uani 1 1 d . . .
C4 C 0.3079(2) 0.83349(16) 0.92381(12) 0.0325(8) Uani 1 1 d . . .
C5 C 0.3141(3) 0.82006(18) 0.96756(14) 0.0413(9) Uani 1 1 d . . .
H5 H 0.3635 0.8050 0.9839 0.050 Uiso 1 1 calc R . .
C6 C 0.2475(3) 0.8288(2) 0.98715(17) 0.0557(13) Uani 1 1 d . . .
H6 H 0.2518 0.8189 1.0163 0.067 Uiso 1 1 calc R . .
C7 C 0.1743(3) 0.8524(2) 0.96289(19) 0.0614(15) Uani 1 1 d . . .
H7 H 0.1297 0.8594 0.9760 0.074 Uiso 1 1 calc R . .
C8 C 0.1675(3) 0.8655(2) 0.91988(19) 0.0575(13) Uani 1 1 d . . .
H8 H 0.1181 0.8810 0.9038 0.069 Uiso 1 1 calc R . .
C9 C 0.2335(3) 0.85596(19) 0.89971(14) 0.0419(9) Uani 1 1 d . . .
H9 H 0.2280 0.8645 0.8703 0.050 Uiso 1 1 calc R . .
C10 C 0.5039(2) 0.87221(15) 0.95882(11) 0.0289(7) Uani 1 1 d . . .
H10 H 0.4741 0.8916 0.9767 0.035 Uiso 1 1 calc R . .
C11 C 0.6245(2) 0.91034(16) 1.00317(11) 0.0295(7) Uani 1 1 d . . .
C12 C 0.6460(2) 0.88528(16) 1.04467(12) 0.0330(8) Uani 1 1 d . . .
C13 C 0.6816(2) 0.92335(18) 1.07879(12) 0.0382(8) Uani 1 1 d . . .
H13 H 0.6962 0.9083 1.1070 0.046 Uiso 1 1 calc R . .
C14 C 0.6954(3) 0.98269(19) 1.07152(13) 0.0427(9) Uani 1 1 d . . .
H14 H 0.7170 1.0076 1.0948 0.051 Uiso 1 1 calc R . .
C15 C 0.6774(3) 1.00538(18) 1.02954(13) 0.0393(9) Uani 1 1 d . . .
H15 H 0.6893 1.0451 1.0249 0.047 Uiso 1 1 calc R . .
C16 C 0.6419(2) 0.96986(16) 0.99440(11) 0.0310(7) Uani 1 1 d . . .
C17 C 0.6328(3) 0.81908(18) 1.05254(13) 0.0411(9) Uani 1 1 d . . .
H17 H 0.6184 0.7994 1.0241 0.049 Uiso 1 1 calc R . .
C18 C 0.5606(3) 0.8102(2) 1.07498(17) 0.0552(12) Uani 1 1 d . . .
H18A H 0.5120 0.8292 1.0582 0.083 Uiso 1 1 calc R . .
H18B H 0.5741 0.8275 1.1036 0.083 Uiso 1 1 calc R . .
H18C H 0.5501 0.7683 1.0773 0.083 Uiso 1 1 calc R . .
C19 C 0.7113(3) 0.7898(2) 1.07833(16) 0.0574(12) Uani 1 1 d . . .
H19A H 0.7008 0.7483 1.0826 0.086 Uiso 1 1 calc R . .
H19B H 0.7278 0.8090 1.1061 0.086 Uiso 1 1 calc R . .
H19C H 0.7547 0.7934 1.0625 0.086 Uiso 1 1 calc R . .
C20 C 0.6208(3) 0.99517(17) 0.94858(12) 0.0377(8) Uani 1 1 d . . .
H20 H 0.6119 0.9611 0.9286 0.045 Uiso 1 1 calc R . .
C21 C 0.6909(4) 1.0318(2) 0.93758(16) 0.0643(15) Uani 1 1 d . . .
H21A H 0.7409 1.0085 0.9429 0.096 Uiso 1 1 calc R . .
H21B H 0.6994 1.0670 0.9554 0.096 Uiso 1 1 calc R . .
H21C H 0.6769 1.0432 0.9074 0.096 Uiso 1 1 calc R . .
C22 C 0.5414(4) 1.0300(3) 0.94034(16) 0.0687(16) Uani 1 1 d . . .
H22A H 0.5301 1.0452 0.9111 0.103 Uiso 1 1 calc R . .
H22B H 0.5465 1.0626 0.9605 0.103 Uiso 1 1 calc R . .
H22C H 0.4968 1.0044 0.9441 0.103 Uiso 1 1 calc R . .
C23 C 0.3238(2) 0.76148(16) 0.83301(11) 0.0313(7) Uani 1 1 d . . .
H23 H 0.2681 0.7601 0.8343 0.038 Uiso 1 1 calc R . .
C24 C 0.2902(2) 0.70237(18) 0.77032(12) 0.0347(8) Uani 1 1 d . . .
C25 C 0.2804(2) 0.64057(18) 0.77476(13) 0.0386(8) Uani 1 1 d . . .
C26 C 0.2235(3) 0.6113(2) 0.74184(15) 0.0483(10) Uani 1 1 d . . .
H26 H 0.2154 0.5705 0.7439 0.058 Uiso 1 1 calc R . .
C27 C 0.1795(3) 0.6419(2) 0.70657(15) 0.0532(12) Uani 1 1 d . . .
H27 H 0.1428 0.6215 0.6849 0.064 Uiso 1 1 calc R . .
C28 C 0.1890(3) 0.7028(2) 0.70294(14) 0.0479(10) Uani 1 1 d . . .
H28 H 0.1573 0.7231 0.6794 0.057 Uiso 1 1 calc R . .
C29 C 0.2464(2) 0.73441(19) 0.73446(12) 0.0386(9) Uani 1 1 d . . .
C30 C 0.3247(3) 0.6062(2) 0.81422(15) 0.0472(10) Uani 1 1 d . . .
H30 H 0.3711 0.6308 0.8293 0.057 Uiso 1 1 calc R . .
C31 C 0.2678(4) 0.5962(3) 0.84545(18) 0.0821(19) Uani 1 1 d . . .
H31A H 0.2968 0.5743 0.8703 0.123 Uiso 1 1 calc R . .
H31B H 0.2201 0.5739 0.8311 0.123 Uiso 1 1 calc R . .
H31C H 0.2504 0.6340 0.8547 0.123 Uiso 1 1 calc R . .
C32 C 0.3605(4) 0.5473(2) 0.8029(2) 0.0672(14) Uani 1 1 d . . .
H32A H 0.3880 0.5276 0.8291 0.101 Uiso 1 1 calc R . .
H32B H 0.3996 0.5547 0.7848 0.101 Uiso 1 1 calc R . .
H32C H 0.3166 0.5224 0.7874 0.101 Uiso 1 1 calc R . .
C33 C 0.2538(3) 0.8018(2) 0.73042(14) 0.0472(10) Uani 1 1 d . . .
H33 H 0.3077 0.8136 0.7482 0.057 Uiso 1 1 calc R . .
C34 C 0.2511(4) 0.8222(3) 0.68421(16) 0.0612(13) Uani 1 1 d . . .
H34A H 0.2565 0.8648 0.6837 0.092 Uiso 1 1 calc R . .
H34B H 0.1993 0.8106 0.6659 0.092 Uiso 1 1 calc R . .
H34C H 0.2959 0.8042 0.6738 0.092 Uiso 1 1 calc R . .
C35 C 0.1868(4) 0.8338(2) 0.74857(17) 0.0610(13) Uani 1 1 d . . .
H35A H 0.1931 0.8762 0.7459 0.091 Uiso 1 1 calc R . .
H35B H 0.1923 0.8236 0.7787 0.091 Uiso 1 1 calc R . .
H35C H 0.1331 0.8219 0.7325 0.091 Uiso 1 1 calc R . .
C101 C 0.6093(2) 0.48387(16) 0.85604(11) 0.0304(7) Uani 1 1 d . . .
C102 C 0.6104(2) 0.51196(16) 0.81657(11) 0.0296(7) Uani 1 1 d . . .
C103 C 0.6277(2) 0.53089(15) 0.88629(11) 0.0308(7) Uani 1 1 d . . .
C104 C 0.5966(2) 0.42043(16) 0.86512(11) 0.0336(8) Uani 1 1 d . . .
C105 C 0.5280(3) 0.38909(17) 0.84291(13) 0.0371(8) Uani 1 1 d . . .
H105 H 0.4880 0.4085 0.8222 0.045 Uiso 1 1 calc R . .
C106 C 0.5186(3) 0.32861(18) 0.85135(14) 0.0448(10) Uani 1 1 d . . .
H106 H 0.4721 0.3081 0.8365 0.054 Uiso 1 1 calc R . .
C107 C 0.5782(3) 0.29916(19) 0.88166(16) 0.0504(11) Uani 1 1 d . . .
H107 H 0.5723 0.2587 0.8868 0.061 Uiso 1 1 calc R . .
C108 C 0.6468(3) 0.3300(2) 0.90442(16) 0.0533(11) Uani 1 1 d . . .
H108 H 0.6870 0.3105 0.9249 0.064 Uiso 1 1 calc R . .
C109 C 0.6549(3) 0.39051(18) 0.89620(14) 0.0447(10) Uani 1 1 d . . .
H109 H 0.7003 0.4113 0.9119 0.054 Uiso 1 1 calc R . .
C110 C 0.5958(2) 0.49215(16) 0.77181(11) 0.0312(7) Uani 1 1 d . . .
H110 H 0.5910 0.4518 0.7648 0.037 Uiso 1 1 calc R . .
C111 C 0.5820(2) 0.51341(16) 0.69768(11) 0.0330(8) Uani 1 1 d . . .
C112 C 0.6537(3) 0.49888(17) 0.68349(13) 0.0393(9) Uani 1 1 d . . .
C113 C 0.6439(3) 0.4779(2) 0.64073(14) 0.0497(11) Uani 1 1 d . . .
H113 H 0.6903 0.4660 0.6306 0.060 Uiso 1 1 calc R . .
C114 C 0.5667(4) 0.4746(2) 0.61350(14) 0.0530(12) Uani 1 1 d . . .
H114 H 0.5615 0.4602 0.5853 0.064 Uiso 1 1 calc R . .
C115 C 0.4967(3) 0.49260(19) 0.62775(13) 0.0487(10) Uani 1 1 d . . .
H115 H 0.4453 0.4914 0.6086 0.058 Uiso 1 1 calc R . .
C116 C 0.5024(3) 0.51257(17) 0.67050(12) 0.0388(8) Uani 1 1 d . . .
C117 C 0.7388(3) 0.50491(18) 0.71263(14) 0.0423(9) Uani 1 1 d . . .
H117 H 0.7335 0.5291 0.7378 0.051 Uiso 1 1 calc R . .
C118 C 0.7730(3) 0.44374(19) 0.72948(16) 0.0501(10) Uani 1 1 d . . .
H11A H 0.8270 0.4485 0.7479 0.075 Uiso 1 1 calc R . .
H11B H 0.7769 0.4186 0.7053 0.075 Uiso 1 1 calc R . .
H11C H 0.7365 0.4258 0.7458 0.075 Uiso 1 1 calc R . .
C119 C 0.7999(3) 0.5364(2) 0.6898(2) 0.0621(13) Uani 1 1 d . . .
H11D H 0.8529 0.5394 0.7094 0.093 Uiso 1 1 calc R . .
H11E H 0.7796 0.5756 0.6811 0.093 Uiso 1 1 calc R . .
H11F H 0.8053 0.5139 0.6646 0.093 Uiso 1 1 calc R . .
C120 C 0.4269(3) 0.5327(2) 0.68581(13) 0.0434(9) Uani 1 1 d . . .
H120 H 0.4455 0.5479 0.7155 0.052 Uiso 1 1 calc R . .
C121 C 0.3679(3) 0.4809(3) 0.68761(19) 0.0659(14) Uani 1 1 d . . .
H12A H 0.3205 0.4951 0.6977 0.099 Uiso 1 1 calc R . .
H12B H 0.3958 0.4509 0.7072 0.099 Uiso 1 1 calc R . .
H12C H 0.3502 0.4641 0.6591 0.099 Uiso 1 1 calc R . .
C122 C 0.3821(3) 0.5839(2) 0.65781(16) 0.0578(12) Uani 1 1 d . . .
H12D H 0.3344 0.5957 0.6687 0.087 Uiso 1 1 calc R . .
H12E H 0.3648 0.5708 0.6282 0.087 Uiso 1 1 calc R . .
H12F H 0.4191 0.6172 0.6591 0.087 Uiso 1 1 calc R . .
C123 C 0.6242(2) 0.53621(16) 0.93153(11) 0.0322(7) Uani 1 1 d . . .
H123 H 0.6132 0.5031 0.9472 0.039 Uiso 1 1 calc R . .
C124 C 0.6310(3) 0.59156(16) 0.99502(11) 0.0360(8) Uani 1 1 d . . .
C125 C 0.7035(3) 0.5818(2) 1.02699(13) 0.0452(10) Uani 1 1 d . . .
C126 C 0.6968(4) 0.5840(2) 1.06983(15) 0.0586(12) Uani 1 1 d . . .
H126 H 0.7438 0.5769 1.0914 0.070 Uiso 1 1 calc R . .
C127 C 0.6239(4) 0.5961(2) 1.08188(14) 0.0593(13) Uani 1 1 d . . .
H127 H 0.6220 0.5973 1.1112 0.071 Uiso 1 1 calc R . .
C128 C 0.5522(3) 0.6067(2) 1.05023(14) 0.0521(11) Uani 1 1 d . . .
H128 H 0.5024 0.6149 1.0584 0.063 Uiso 1 1 calc R . .
C129 C 0.5553(3) 0.60486(17) 1.00595(13) 0.0399(9) Uani 1 1 d . . .
C130 C 0.7841(3) 0.5678(3) 1.01436(15) 0.0584(12) Uani 1 1 d . . .
H130 H 0.7825 0.5857 0.9858 0.070 Uiso 1 1 calc R . .
C131 C 0.7958(4) 0.4997(3) 1.0101(2) 0.089(2) Uani 1 1 d . . .
H13A H 0.8478 0.4921 1.0021 0.133 Uiso 1 1 calc R . .
H13B H 0.7514 0.4841 0.9881 0.133 Uiso 1 1 calc R . .
H13C H 0.7954 0.4808 1.0375 0.133 Uiso 1 1 calc R . .
C132 C 0.8602(4) 0.5913(4) 1.04534(19) 0.087(2) Uani 1 1 d . . .
H13D H 0.9088 0.5805 1.0350 0.131 Uiso 1 1 calc R . .
H13E H 0.8633 0.5744 1.0737 0.131 Uiso 1 1 calc R . .
H13F H 0.8568 0.6340 1.0470 0.131 Uiso 1 1 calc R . .
C133 C 0.4765(3) 0.61746(19) 0.97243(14) 0.0454(10) Uani 1 1 d . . .
H133 H 0.4889 0.6119 0.9436 0.055 Uiso 1 1 calc R . .
C134 C 0.4065(3) 0.5750(2) 0.97598(17) 0.0590(12) Uani 1 1 d . . .
H13G H 0.3583 0.5847 0.9541 0.088 Uiso 1 1 calc R . .
H13H H 0.3939 0.5788 1.0043 0.088 Uiso 1 1 calc R . .
H13I H 0.4232 0.5348 0.9719 0.088 Uiso 1 1 calc R . .
C135 C 0.4485(4) 0.6820(2) 0.97536(18) 0.0587(13) Uani 1 1 d . . .
H13J H 0.3988 0.6889 0.9537 0.088 Uiso 1 1 calc R . .
H13K H 0.4913 0.7084 0.9704 0.088 Uiso 1 1 calc R . .
H13L H 0.4380 0.6892 1.0038 0.088 Uiso 1 1 calc R . .
C201 C 0.7371(2) 0.77117(15) 0.81467(11) 0.0285(7) Uani 1 1 d . . .
C202 C 0.6511(2) 0.77883(15) 0.80136(11) 0.0283(7) Uani 1 1 d . . .
C203 C 0.7441(2) 0.73057(15) 0.84880(11) 0.0271(7) Uani 1 1 d . . .
C204 C 0.8049(2) 0.79739(16) 0.79719(12) 0.0307(7) Uani 1 1 d . . .
C205 C 0.8046(3) 0.79472(17) 0.75296(13) 0.0361(8) Uani 1 1 d . . .
H205 H 0.7595 0.7782 0.7337 0.043 Uiso 1 1 calc R . .
C206 C 0.8715(3) 0.81672(18) 0.73762(15) 0.0434(9) Uani 1 1 d . . .
H206 H 0.8710 0.8150 0.7080 0.052 Uiso 1 1 calc R . .
C207 C 0.9392(3) 0.84122(18) 0.76606(15) 0.0431(9) Uani 1 1 d . . .
H207 H 0.9844 0.8550 0.7557 0.052 Uiso 1 1 calc R . .
C208 C 0.9392(3) 0.84508(18) 0.80987(15) 0.0424(9) Uani 1 1 d . . .
H208 H 0.9841 0.8623 0.8289 0.051 Uiso 1 1 calc R . .
C209 C 0.8731(2) 0.82355(17) 0.82571(13) 0.0362(8) Uani 1 1 d . . .
H209 H 0.8736 0.8263 0.8553 0.043 Uiso 1 1 calc R . .
C210 C 0.5995(2) 0.81696(15) 0.77052(11) 0.0294(7) Uani 1 1 d . . .
H210 H 0.6233 0.8420 0.7530 0.035 Uiso 1 1 calc R . .
C211 C 0.4769(2) 0.85839(17) 0.73482(12) 0.0344(8) Uani 1 1 d . . .
C212 C 0.4380(2) 0.90740(17) 0.74982(12) 0.0351(8) Uani 1 1 d . . .
C213 C 0.4027(3) 0.95037(18) 0.71911(14) 0.0456(10) Uani 1 1 d . . .
H213 H 0.3770 0.9835 0.7281 0.055 Uiso 1 1 calc R . .
C214 C 0.4053(3) 0.9445(2) 0.67576(14) 0.0566(12) Uani 1 1 d . . .
H214 H 0.3823 0.9738 0.6559 0.068 Uiso 1 1 calc R . .
C215 C 0.4420(3) 0.8950(2) 0.66192(14) 0.0552(12) Uani 1 1 d . . .
H215 H 0.4428 0.8912 0.6326 0.066 Uiso 1 1 calc R . .
C216 C 0.4781(3) 0.85052(19) 0.69101(13) 0.0440(9) Uani 1 1 d . . .
C217 C 0.4394(2) 0.91562(17) 0.79767(13) 0.0369(8) Uani 1 1 d . . .
H217 H 0.4417 0.8757 0.8105 0.044 Uiso 1 1 calc R . .
C218 C 0.5170(3) 0.9479(3) 0.82032(15) 0.0563(12) Uani 1 1 d . . .
H21D H 0.5166 0.9525 0.8506 0.085 Uiso 1 1 calc R . .
H21E H 0.5189 0.9865 0.8074 0.085 Uiso 1 1 calc R . .
H21F H 0.5649 0.9253 0.8174 0.085 Uiso 1 1 calc R . .
C219 C 0.3627(3) 0.9460(2) 0.80695(17) 0.0562(12) Uani 1 1 d . . .
H21G H 0.3680 0.9496 0.8378 0.084 Uiso 1 1 calc R . .
H21H H 0.3146 0.9226 0.7949 0.084 Uiso 1 1 calc R . .
H21I H 0.3572 0.9849 0.7940 0.084 Uiso 1 1 calc R . .
C220 C 0.5169(3) 0.7970(2) 0.67340(14) 0.0522(11) Uani 1 1 d . . .
H220 H 0.5404 0.7713 0.6982 0.063 Uiso 1 1 calc R . .
C221 C 0.5879(5) 0.8153(3) 0.6517(2) 0.0760(18) Uani 1 1 d . . .
H22D H 0.6111 0.7804 0.6411 0.114 Uiso 1 1 calc R . .
H22E H 0.6301 0.8354 0.6725 0.114 Uiso 1 1 calc R . .
H22F H 0.5670 0.8416 0.6277 0.114 Uiso 1 1 calc R . .
C222 C 0.4503(4) 0.7604(3) 0.64208(17) 0.0755(18) Uani 1 1 d . . .
H22G H 0.4759 0.7269 0.6313 0.113 Uiso 1 1 calc R . .
H22H H 0.4241 0.7851 0.6181 0.113 Uiso 1 1 calc R . .
H22I H 0.4094 0.7465 0.6574 0.113 Uiso 1 1 calc R . .
C223 C 0.8142(2) 0.70175(16) 0.87631(11) 0.0308(7) Uani 1 1 d . . .
H223 H 0.8677 0.7105 0.8731 0.037 Uiso 1 1 calc R . .
C224 C 0.8793(2) 0.64295(19) 0.93223(13) 0.0393(9) Uani 1 1 d . . .
C225 C 0.9051(3) 0.5845(2) 0.92611(15) 0.0480(10) Uani 1 1 d . . .
C226 C 0.9801(3) 0.5656(2) 0.95242(19) 0.0616(13) Uani 1 1 d . . .
H226 H 0.9985 0.5268 0.9498 0.074 Uiso 1 1 calc R . .
C227 C 1.0275(3) 0.6043(3) 0.9826(2) 0.0713(16) Uani 1 1 d . . .
H227 H 1.0774 0.5911 0.9996 0.086 Uiso 1 1 calc R . .
C228 C 1.0019(3) 0.6612(2) 0.98742(17) 0.0583(12) Uani 1 1 d . . .
H228 H 1.0349 0.6864 1.0075 0.070 Uiso 1 1 calc R . .
C229 C 0.9266(3) 0.6824(2) 0.96270(14) 0.0443(9) Uani 1 1 d . . .
C230 C 0.8547(3) 0.54481(19) 0.89110(17) 0.0507(11) Uani 1 1 d . . .
H230 H 0.7961 0.5545 0.8891 0.061 Uiso 1 1 calc R . .
C231 C 0.8741(4) 0.5576(3) 0.84706(19) 0.0669(14) Uani 1 1 d . . .
H23A H 0.8414 0.5320 0.8256 0.100 Uiso 1 1 calc R . .
H23B H 0.9319 0.5505 0.8483 0.100 Uiso 1 1 calc R . .
H23C H 0.8613 0.5985 0.8394 0.100 Uiso 1 1 calc R . .
C232 C 0.8649(4) 0.4779(2) 0.9003(2) 0.0761(17) Uani 1 1 d . . .
H23D H 0.8311 0.4560 0.8767 0.114 Uiso 1 1 calc R . .
H23E H 0.8480 0.4687 0.9269 0.114 Uiso 1 1 calc R . .
H23F H 0.9219 0.4669 0.9029 0.114 Uiso 1 1 calc R . .
C233 C 0.9013(3) 0.7465(2) 0.96880(14) 0.0463(10) Uani 1 1 d . . .
H233 H 0.8462 0.7528 0.9502 0.056 Uiso 1 1 calc R . .
C234 C 0.9611(3) 0.7898(2) 0.95387(17) 0.0582(12) Uani 1 1 d . . .
H23G H 0.9443 0.8300 0.9578 0.087 Uiso 1 1 calc R . .
H23H H 0.9604 0.7831 0.9236 0.087 Uiso 1 1 calc R . .
H23I H 1.0161 0.7834 0.9708 0.087 Uiso 1 1 calc R . .
C235 C 0.8956(4) 0.7595(3) 1.01532(17) 0.0691(15) Uani 1 1 d . . .
H23J H 0.8796 0.8003 1.0177 0.104 Uiso 1 1 calc R . .
H23K H 0.9485 0.7526 1.0343 0.104 Uiso 1 1 calc R . .
H23L H 0.8550 0.7337 1.0234 0.104 Uiso 1 1 calc R . .
O1 O 1.1319(3) 0.7388(3) 0.8358(2) 0.0475(15) Uani 0.50 1 d P . .
C301 C 1.0787(5) 0.7080(4) 0.7995(3) 0.0432(19) Uani 0.50 1 d P . .
H30A H 1.0511 0.7365 0.7780 0.052 Uiso 0.50 1 calc PR . .
H30B H 1.1113 0.6812 0.7857 0.052 Uiso 0.50 1 calc PR . .
C302 C 1.0181(6) 0.6746(5) 0.8172(4) 0.059(3) Uani 0.50 1 d P . .
H30C H 1.0079 0.6359 0.8032 0.071 Uiso 0.50 1 calc PR . .
H30D H 0.9661 0.6962 0.8130 0.071 Uiso 0.50 1 calc PR . .
C303 C 1.0566(6) 0.6677(4) 0.8652(3) 0.053(2) Uani 0.50 1 d P . .
H30E H 1.0147 0.6671 0.8826 0.064 Uiso 0.50 1 calc PR . .
H30F H 1.0900 0.6319 0.8708 0.064 Uiso 0.50 1 calc PR . .
C304 C 1.1070(6) 0.7208(4) 0.8733(3) 0.055(2) Uani 0.50 1 d P . .
H30G H 1.0756 0.7526 0.8831 0.065 Uiso 0.50 1 calc PR . .
H30H H 1.1555 0.7129 0.8961 0.065 Uiso 0.50 1 calc PR . .
N31 N 1.0237(7) 0.9271(5) 1.0146(3) 0.0726(19) Uani 0.50 1 d P . .
C305 C 0.9546(7) 0.9342(5) 1.0143(3) 0.0573(12) Uani 0.50 1 d P . .
C306 C 0.8724(7) 0.9428(5) 1.0112(3) 0.0573(12) Uani 0.50 1 d P . .
H30I H 0.8595 0.9843 1.0059 0.086 Uiso 0.50 1 calc PR . .
H30J H 0.8578 0.9309 1.0379 0.086 Uiso 0.50 1 calc PR . .
H30K H 0.8417 0.9195 0.9876 0.086 Uiso 0.50 1 calc PR . .
N32 N 0.1425(7) 0.7786(5) 1.0645(3) 0.0726(19) Uani 0.50 1 d P . .
C307 C 0.1467(7) 0.8163(4) 1.0888(3) 0.0573(12) Uani 0.50 1 d P . .
C308 C 0.1157(7) 0.8630(4) 1.1118(3) 0.0573(12) Uani 0.50 1 d P . .
H30L H 0.1609 0.8814 1.1319 0.086 Uiso 0.50 1 calc PR . .
H30M H 0.0770 0.8468 1.1276 0.086 Uiso 0.50 1 calc PR . .
H30N H 0.0882 0.8923 1.0915 0.086 Uiso 0.50 1 calc PR . .
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'
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'
O O 0.0106 0.0060 '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
N1 Co1 N3 80.70(11) . . ?
N1 Co1 Cl4 127.80(9) . . ?
N3 Co1 Cl4 110.09(9) . . ?
N1 Co1 Cl1 110.96(9) . . ?
N3 Co1 Cl1 105.30(8) . . ?
Cl4 Co1 Cl1 114.32(4) . . ?
N21 Co2 N2 98.31(11) . . ?
N21 Co2 N4 175.17(11) . . ?
N2 Co2 N4 77.06(11) . . ?
N21 Co2 N23 73.42(11) . . ?
N2 Co2 N23 94.83(11) . . ?
N4 Co2 N23 108.12(11) . . ?
N21 Co2 Cl3 92.84(8) . . ?
N2 Co2 Cl3 168.78(9) . . ?
N4 Co2 Cl3 91.76(8) . . ?
N23 Co2 Cl3 89.58(7) . . ?
N21 Co2 Cl2 86.17(8) . . ?
N2 Co2 Cl2 81.14(8) . . ?
N4 Co2 Cl2 91.69(8) . . ?
N23 Co2 Cl2 158.46(8) . . ?
Cl3 Co2 Cl2 98.40(3) . . ?
N11 Co3 N13 80.60(12) . . ?
N11 Co3 Cl5 127.18(10) . . ?
N13 Co3 Cl5 106.25(9) . . ?
N11 Co3 Cl3 114.06(9) . . ?
N13 Co3 Cl3 108.75(9) . . ?
Cl5 Co3 Cl3 112.65(5) . . ?
N22 Co4 N12 96.73(11) . . ?
N22 Co4 N14 174.20(11) . . ?
N12 Co4 N14 77.47(11) . . ?
N22 Co4 Cl1 94.13(9) . . ?
N12 Co4 Cl1 168.89(8) . . ?
N14 Co4 Cl1 91.65(8) . . ?
N22 Co4 Cl2 87.18(8) . . ?
N12 Co4 Cl2 83.13(9) . . ?
N14 Co4 Cl2 92.39(9) . . ?
Cl1 Co4 Cl2 99.77(3) . . ?
Co1 Cl1 Co4 106.63(4) . . ?
Co4 Cl2 Co2 106.53(3) . . ?
Co3 Cl3 Co2 107.96(4) . . ?
N2 N1 C2 107.7(3) . . ?
N2 N1 Co1 138.4(2) . . ?
C2 N1 Co1 111.4(2) . . ?
N1 N2 C3 109.0(3) . . ?
N1 N2 Co2 133.2(2) . . ?
C3 N2 Co2 115.8(2) . . ?
C10 N3 C11 117.8(3) . . ?
C10 N3 Co1 111.6(2) . . ?
C11 N3 Co1 130.5(2) . . ?
C23 N4 C24 117.0(3) . . ?
C23 N4 Co2 112.8(2) . . ?
C24 N4 Co2 130.0(2) . . ?
N12 N11 C102 108.5(3) . . ?
N12 N11 Co3 137.8(2) . . ?
C102 N11 Co3 112.0(2) . . ?
N11 N12 C103 108.9(3) . . ?
N11 N12 Co4 134.3(2) . . ?
C103 N12 Co4 115.6(2) . . ?
C110 N13 C111 118.9(3) . . ?
C110 N13 Co3 112.4(2) . . ?
C111 N13 Co3 128.2(2) . . ?
C123 N14 C124 116.4(3) . . ?
C123 N14 Co4 111.7(2) . . ?
C124 N14 Co4 131.7(2) . . ?
N22 N21 C202 108.4(3) . . ?
N22 N21 Co2 130.4(2) . . ?
C202 N21 Co2 120.9(2) . . ?
N21 N22 C203 108.1(3) . . ?
N21 N22 Co4 129.4(2) . . ?
C203 N22 Co4 122.4(2) . . ?
C210 N23 C211 113.7(3) . . ?
C210 N23 Co2 108.2(2) . . ?
C211 N23 Co2 137.7(2) . . ?
C223 N24 C224 113.0(3) . . ?
C2 C1 C3 103.0(3) . . ?
C2 C1 C4 127.7(3) . . ?
C3 C1 C4 129.2(3) . . ?
N1 C2 C1 110.4(3) . . ?
N1 C2 C10 115.3(3) . . ?
C1 C2 C10 134.3(3) . . ?
N2 C3 C1 109.9(3) . . ?
N2 C3 C23 116.1(3) . . ?
C1 C3 C23 133.7(3) . . ?
C5 C4 C9 119.0(4) . . ?
C5 C4 C1 119.8(4) . . ?
C9 C4 C1 121.1(3) . . ?
C6 C5 C4 120.9(4) . . ?
C5 C6 C7 119.4(5) . . ?
C8 C7 C6 120.1(4) . . ?
C7 C8 C9 120.9(5) . . ?
C8 C9 C4 119.6(4) . . ?
N3 C10 C2 118.4(3) . . ?
C12 C11 C16 123.0(3) . . ?
C12 C11 N3 118.9(3) . . ?
C16 C11 N3 118.1(3) . . ?
C11 C12 C13 116.9(3) . . ?
C11 C12 C17 121.8(3) . . ?
C13 C12 C17 121.3(3) . . ?
C14 C13 C12 121.3(4) . . ?
C13 C14 C15 120.2(4) . . ?
C14 C15 C16 121.1(4) . . ?
C15 C16 C11 117.3(3) . . ?
C15 C16 C20 120.9(3) . . ?
C11 C16 C20 121.8(3) . . ?
C18 C17 C19 111.0(4) . . ?
C18 C17 C12 110.8(4) . . ?
C19 C17 C12 111.8(4) . . ?
C22 C20 C16 111.9(3) . . ?
C22 C20 C21 111.1(4) . . ?
C16 C20 C21 112.8(4) . . ?
N4 C23 C3 117.4(3) . . ?
C29 C24 C25 122.3(3) . . ?
C29 C24 N4 118.2(3) . . ?
C25 C24 N4 119.3(3) . . ?
C26 C25 C24 117.4(4) . . ?
C26 C25 C30 119.8(4) . . ?
C24 C25 C30 122.6(3) . . ?
C27 C26 C25 121.1(4) . . ?
C26 C27 C28 120.7(4) . . ?
C27 C28 C29 120.7(4) . . ?
C24 C29 C28 117.6(4) . . ?
C24 C29 C33 122.6(3) . . ?
C28 C29 C33 119.7(4) . . ?
C25 C30 C31 110.5(4) . . ?
C25 C30 C32 113.2(4) . . ?
C31 C30 C32 110.5(4) . . ?
C34 C33 C29 113.2(4) . . ?
C34 C33 C35 109.9(4) . . ?
C29 C33 C35 110.9(4) . . ?
C102 C101 C103 102.8(3) . . ?
C102 C101 C104 129.6(3) . . ?
C103 C101 C104 127.6(3) . . ?
N11 C102 C101 109.9(3) . . ?
N11 C102 C110 116.0(3) . . ?
C101 C102 C110 134.1(3) . . ?
N12 C103 C101 109.9(3) . . ?
N12 C103 C123 116.7(3) . . ?
C101 C103 C123 132.9(3) . . ?
C105 C104 C109 118.5(4) . . ?
C105 C104 C101 121.7(3) . . ?
C109 C104 C101 119.7(4) . . ?
C104 C105 C106 120.6(4) . . ?
C107 C106 C105 120.2(4) . . ?
C106 C107 C108 119.9(4) . . ?
C107 C108 C109 119.3(4) . . ?
C104 C109 C108 121.5(4) . . ?
N13 C110 C102 117.8(3) . . ?
C112 C111 C116 123.5(3) . . ?
C112 C111 N13 118.5(3) . . ?
C116 C111 N13 118.0(3) . . ?
C111 C112 C113 117.1(4) . . ?
C111 C112 C117 122.0(3) . . ?
C113 C112 C117 120.9(4) . . ?
C114 C113 C112 121.1(4) . . ?
C113 C114 C115 120.5(4) . . ?
C114 C115 C116 121.0(4) . . ?
C115 C116 C111 116.6(4) . . ?
C115 C116 C120 121.1(4) . . ?
C111 C116 C120 122.3(3) . . ?
C112 C117 C119 112.2(4) . . ?
C112 C117 C118 110.8(4) . . ?
C119 C117 C118 110.1(4) . . ?
C116 C120 C121 111.4(4) . . ?
C116 C120 C122 111.9(4) . . ?
C121 C120 C122 110.9(4) . . ?
N14 C123 C103 118.4(3) . . ?
C129 C124 C125 121.8(4) . . ?
C129 C124 N14 120.2(3) . . ?
C125 C124 N14 118.0(4) . . ?
C126 C125 C124 117.4(4) . . ?
C126 C125 C130 121.9(4) . . ?
C124 C125 C130 120.7(4) . . ?
C127 C126 C125 122.7(5) . . ?
C126 C127 C128 120.0(4) . . ?
C127 C128 C129 119.7(5) . . ?
C124 C129 C128 118.4(4) . . ?
C124 C129 C133 123.3(3) . . ?
C128 C129 C133 118.3(4) . . ?
C125 C130 C132 114.7(5) . . ?
C125 C130 C131 111.3(5) . . ?
C132 C130 C131 107.4(5) . . ?
C129 C133 C134 112.7(4) . . ?
C129 C133 C135 111.1(4) . . ?
C134 C133 C135 110.1(4) . . ?
C203 C201 C202 102.8(3) . . ?
C203 C201 C204 127.2(3) . . ?
C202 C201 C204 130.0(3) . . ?
N21 C202 C201 109.9(3) . . ?
N21 C202 C210 116.0(3) . . ?
C201 C202 C210 133.9(3) . . ?
N22 C203 C201 110.8(3) . . ?
N22 C203 C223 116.5(3) . . ?
C201 C203 C223 132.7(3) . . ?
C205 C204 C209 119.1(3) . . ?
C205 C204 C201 121.1(3) . . ?
C209 C204 C201 119.8(3) . . ?
C206 C205 C204 120.0(4) . . ?
C207 C206 C205 120.5(4) . . ?
C208 C207 C206 119.8(4) . . ?
C207 C208 C209 120.5(4) . . ?
C208 C209 C204 120.1(4) . . ?
N23 C210 C202 120.3(3) . . ?
C216 C211 C212 122.4(3) . . ?
C216 C211 N23 119.9(3) . . ?
C212 C211 N23 117.6(3) . . ?
C213 C212 C211 117.4(4) . . ?
C213 C212 C217 121.2(3) . . ?
C211 C212 C217 121.3(3) . . ?
C214 C213 C212 121.3(4) . . ?
C215 C214 C213 119.9(4) . . ?
C214 C215 C216 121.5(4) . . ?
C211 C216 C215 117.5(4) . . ?
C211 C216 C220 123.8(4) . . ?
C215 C216 C220 118.6(4) . . ?
C218 C217 C212 111.0(3) . . ?
C218 C217 C219 110.6(4) . . ?
C212 C217 C219 114.2(3) . . ?
C216 C220 C221 111.9(4) . . ?
C216 C220 C222 110.7(4) . . ?
C221 C220 C222 111.5(5) . . ?
N24 C223 C203 120.0(3) . . ?
C225 C224 C229 122.6(4) . . ?
C225 C224 N24 118.5(4) . . ?
C229 C224 N24 118.9(4) . . ?
C226 C225 C224 117.2(4) . . ?
C226 C225 C230 122.0(4) . . ?
C224 C225 C230 120.7(4) . . ?
C227 C226 C225 120.6(5) . . ?
C228 C227 C226 121.1(5) . . ?
C227 C228 C229 121.0(5) . . ?
C228 C229 C224 117.4(4) . . ?
C228 C229 C233 119.1(4) . . ?
C224 C229 C233 123.5(4) . . ?
C231 C230 C225 111.2(4) . . ?
C231 C230 C232 108.8(5) . . ?
C225 C230 C232 114.7(4) . . ?
C235 C233 C229 112.3(4) . . ?
C235 C233 C234 110.7(4) . . ?
C229 C233 C234 110.4(4) . . ?
C304 O1 C301 106.8(6) . . ?
C302 C301 O1 107.1(7) . . ?
C301 C302 C303 104.9(8) . . ?
C304 C303 C302 101.2(8) . . ?
O1 C304 C303 110.7(8) . . ?
N31 C305 C306 176.3(12) . . ?
N32 C307 C308 155.8(13) . . ?
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 Co2 4.2348(6) . ?
Co1 Co3 6.6501(7) . ?
Co1 Co4 3.7711(6) . ?
Co2 Co3 3.8068(7) . ?
Co2 Co4 3.9522(7) . ?
Co3 Co4 4.2490(7) . ?
Co1 N1 2.016(3) . ?
Co1 N3 2.089(3) . ?
Co1 Cl4 2.1958(10) . ?
Co1 Cl1 2.2831(9) . ?
Co2 N21 2.031(3) . ?
Co2 N2 2.044(3) . ?
Co2 N4 2.190(3) . ?
Co2 N23 2.412(3) . ?
Co2 Cl3 2.4288(9) . ?
Co2 Cl2 2.4877(9) . ?
Co3 N11 2.015(3) . ?
Co3 N13 2.089(3) . ?
Co3 Cl5 2.1857(12) . ?
Co3 Cl3 2.2765(10) . ?
Co4 N22 2.032(3) . ?
Co4 N12 2.053(3) . ?
Co4 N14 2.209(3) . ?
Co4 Cl1 2.4182(9) . ?
Co4 Cl2 2.4437(10) . ?
N1 N2 1.326(4) . ?
N1 C2 1.373(4) . ?
N2 C3 1.355(4) . ?
N3 C10 1.283(5) . ?
N3 C11 1.443(4) . ?
N4 C23 1.288(5) . ?
N4 C24 1.456(5) . ?
N11 N12 1.318(4) . ?
N11 C102 1.370(4) . ?
N12 C103 1.356(4) . ?
N13 C110 1.283(5) . ?
N13 C111 1.436(4) . ?
N14 C123 1.298(5) . ?
N14 C124 1.445(4) . ?
N21 N22 1.340(4) . ?
N21 C202 1.351(4) . ?
N22 C203 1.344(4) . ?
N23 C210 1.288(5) . ?
N23 C211 1.446(4) . ?
N24 C223 1.286(5) . ?
N24 C224 1.440(5) . ?
C1 C2 1.387(5) . ?
C1 C3 1.406(5) . ?
C1 C4 1.469(5) . ?
C2 C10 1.453(5) . ?
C3 C23 1.449(5) . ?
C4 C5 1.390(6) . ?
C4 C9 1.393(6) . ?
C5 C6 1.384(6) . ?
C6 C7 1.390(8) . ?
C7 C8 1.365(8) . ?
C8 C9 1.390(6) . ?
C11 C12 1.395(5) . ?
C11 C16 1.405(5) . ?
C12 C13 1.398(5) . ?
C12 C17 1.528(5) . ?
C13 C14 1.377(6) . ?
C14 C15 1.386(6) . ?
C15 C16 1.386(5) . ?
C16 C20 1.518(5) . ?
C17 C18 1.523(6) . ?
C17 C19 1.523(6) . ?
C20 C22 1.499(7) . ?
C20 C21 1.520(6) . ?
C24 C29 1.401(6) . ?
C24 C25 1.406(6) . ?
C25 C26 1.403(6) . ?
C25 C30 1.510(6) . ?
C26 C27 1.373(7) . ?
C27 C28 1.381(7) . ?
C28 C29 1.406(5) . ?
C29 C33 1.523(6) . ?
C30 C31 1.515(8) . ?
C30 C32 1.521(7) . ?
C33 C34 1.515(6) . ?
C33 C35 1.529(7) . ?
C101 C102 1.395(5) . ?
C101 C103 1.409(5) . ?
C101 C104 1.475(5) . ?
C102 C110 1.446(5) . ?
C103 C123 1.441(5) . ?
C104 C105 1.387(6) . ?
C104 C109 1.389(6) . ?
C105 C106 1.397(5) . ?
C106 C107 1.382(7) . ?
C107 C108 1.389(7) . ?
C108 C109 1.392(6) . ?
C111 C112 1.390(6) . ?
C111 C116 1.406(6) . ?
C112 C113 1.401(6) . ?
C112 C117 1.511(6) . ?
C113 C114 1.376(7) . ?
C114 C115 1.386(7) . ?
C115 C116 1.401(6) . ?
C116 C120 1.498(6) . ?
C117 C119 1.529(6) . ?
C117 C118 1.534(6) . ?
C120 C121 1.525(7) . ?
C120 C122 1.538(6) . ?
C124 C129 1.397(6) . ?
C124 C125 1.406(6) . ?
C125 C126 1.376(6) . ?
C125 C130 1.503(7) . ?
C126 C127 1.365(8) . ?
C127 C128 1.394(7) . ?
C128 C129 1.405(6) . ?
C129 C133 1.516(6) . ?
C130 C132 1.510(7) . ?
C130 C131 1.547(9) . ?
C133 C134 1.519(7) . ?
C133 C135 1.528(6) . ?
C201 C203 1.393(5) . ?
C201 C202 1.403(5) . ?
C201 C204 1.472(5) . ?
C202 C210 1.429(5) . ?
C203 C223 1.442(5) . ?
C204 C205 1.391(5) . ?
C204 C209 1.408(5) . ?
C205 C206 1.388(6) . ?
C206 C207 1.386(7) . ?
C207 C208 1.380(6) . ?
C208 C209 1.381(6) . ?
C211 C216 1.393(6) . ?
C211 C212 1.404(5) . ?
C212 C213 1.400(5) . ?
C212 C217 1.511(5) . ?
C213 C214 1.379(6) . ?
C214 C215 1.378(7) . ?
C215 C216 1.398(6) . ?
C216 C220 1.520(6) . ?
C217 C218 1.511(6) . ?
C217 C219 1.521(6) . ?
C220 C221 1.535(8) . ?
C220 C222 1.545(8) . ?
C224 C225 1.405(6) . ?
C224 C229 1.411(6) . ?
C225 C226 1.399(6) . ?
C225 C230 1.517(7) . ?
C226 C227 1.395(8) . ?
C227 C228 1.364(8) . ?
C228 C229 1.400(6) . ?
C229 C233 1.520(6) . ?
C230 C231 1.515(7) . ?
C230 C232 1.531(6) . ?
C233 C235 1.514(7) . ?
C233 C234 1.528(7) . ?
O1 C304 1.388(11) . ?
O1 C301 1.457(11) . ?
C301 C302 1.451(11) . ?
C302 C303 1.515(15) . ?
C303 C304 1.444(13) . ?
N31 C305 1.151(15) . ?
C305 C306 1.353(16) . ?
N32 C307 1.132(13) . ?
C307 C308 1.430(14) . ?
