#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:37:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179799 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/95/7009536.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_7009536
loop_
_publ_author_name
'Connelly, Neil G.'
'Hicks, Owen M.'
'Lewis, Gareth R.'
'Orpen, A. Guy'
'Wood, Andrew J.'
_publ_section_title
;
 Coordination chemistry of a bulky redox-active cyanomanganese carbonyl
 ligand: N-bound tetrahedral complexes of 3d metals
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1637
_journal_paper_doi               10.1039/b001782p
_journal_year                    2000
_chemical_formula_sum            'C56 H52 Cl2 Co Mn N O2 P4'
_chemical_formula_weight         1079.72
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                91.22(2)
_cell_angle_beta                 97.58(2)
_cell_angle_gamma                105.838(14)
_cell_formula_units_Z            2
_cell_length_a                   10.192(2)
_cell_length_b                   13.922(2)
_cell_length_c                   19.286(4)
_cell_measurement_reflns_used    115
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      1.72
_cell_volume                     2604.9(9)
_computing_cell_refinement       'local programs'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens SMART CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0527
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16491
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    0.827
_exptl_absorpt_correction_T_max  0.814
_exptl_absorpt_correction_T_min  0.618
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_meas      ?
_exptl_crystal_description       cubes
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.715
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.226
_refine_ls_goodness_of_fit_obs   1.156
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         11351
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.231
_refine_ls_restrained_S_obs      1.156
_refine_ls_R_factor_all          0.0925
_refine_ls_R_factor_obs          0.0582
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0183P)²+5.6491P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1289
_refine_ls_wR_factor_obs         0.1033
_reflns_number_observed          8416
_reflns_number_total             11361
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b001782p.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0183P)^2^+5.6491P] 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^)+(0.0183P)^2^+5.6491P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2604.8(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7009536
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Co1 Co 0.21685(6) 0.55156(4) 0.37197(3) 0.02988(14) Uani 1 d . .
Cl1 Cl 0.22550(14) 0.39555(8) 0.35121(7) 0.0500(3) Uani 1 d . .
Cl2 Cl 0.00319(12) 0.57087(10) 0.35151(6) 0.0447(3) Uani 1 d . .
Mn1 Mn 0.44809(6) 0.81612(4) 0.22193(3) 0.01921(12) Uani 1 d . .
P1 P 0.59503(10) 0.74678(7) 0.17394(5) 0.0223(2) Uani 1 d . .
P2 P 0.66015(10) 0.88327(7) 0.28509(5) 0.0220(2) Uani 1 d . .
P3 P 0.23949(10) 0.74351(7) 0.15596(5) 0.0229(2) Uani 1 d . .
P4 P 0.28942(10) 0.87116(7) 0.27185(5) 0.0213(2) Uani 1 d . .
O1 O 0.5026(3) 0.9910(2) 0.13459(15) 0.0334(7) Uani 1 d . .
O2 O 0.2836(3) 0.5933(3) 0.4734(2) 0.0470(9) Uani 1 d . .
N1 N 0.3484(3) 0.6489(2) 0.3239(2) 0.0281(7) Uani 1 d . .
C1 C 0.7538(4) 0.8336(3) 0.2228(2) 0.0275(9) Uani 1 d . .
H1A H 0.8022(4) 0.8854(3) 0.1935(2) 0.033 Uiso 1 calc R .
H1B H 0.8182(4) 0.7984(3) 0.2462(2) 0.033 Uiso 1 calc R .
C2 C 0.6075(4) 0.7534(3) 0.0804(2) 0.0257(8) Uani 1 d . .
C3 C 0.5546(5) 0.6673(3) 0.0356(2) 0.0400(11) Uani 1 d . .
H3A H 0.5275(5) 0.6037(3) 0.0546(2) 0.048 Uiso 1 calc R .
C4 C 0.5413(6) 0.6746(4) -0.0369(2) 0.0535(14) Uani 1 d . .
H4A H 0.5035(6) 0.6158(4) -0.0669(2) 0.064 Uiso 1 calc R .
C5 C 0.5821(5) 0.7652(4) -0.0650(2) 0.0508(13) Uani 1 d . .
H5A H 0.5722(5) 0.7693(4) -0.1144(2) 0.061 Uiso 1 calc R .
C6 C 0.6382(5) 0.8519(4) -0.0213(2) 0.0391(11) Uani 1 d . .
H6A H 0.6677(5) 0.9150(4) -0.0408(2) 0.047 Uiso 1 calc R .
C7 C 0.6507(4) 0.8455(3) 0.0507(2) 0.0310(9) Uani 1 d . .
H7A H 0.6892(4) 0.9046(3) 0.0803(2) 0.037 Uiso 1 calc R .
C8 C 0.6119(4) 0.6213(3) 0.1898(2) 0.0259(8) Uani 1 d . .
C9 C 0.5002(5) 0.5463(3) 0.2055(2) 0.0341(10) Uani 1 d . .
H9A H 0.4155(5) 0.5607(3) 0.2094(2) 0.041 Uiso 1 calc R .
C10 C 0.5122(6) 0.4502(3) 0.2156(2) 0.0433(12) Uani 1 d . .
H10A H 0.4360(6) 0.3995(3) 0.2270(2) 0.052 Uiso 1 calc R .
C11 C 0.6341(6) 0.4280(4) 0.2091(3) 0.0491(13) Uani 1 d . .
H11A H 0.6415(6) 0.3621(4) 0.2154(3) 0.059 Uiso 1 calc R .
C12 C 0.7442(6) 0.5014(4) 0.1935(3) 0.0549(15) Uani 1 d . .
H12A H 0.8283(6) 0.4862(4) 0.1894(3) 0.066 Uiso 1 calc R .
C13 C 0.7345(5) 0.5979(3) 0.1838(3) 0.0430(12) Uani 1 d . .
H13A H 0.8119(5) 0.6481(3) 0.1730(3) 0.052 Uiso 1 calc R .
C14 C 0.7380(4) 1.0187(3) 0.2940(2) 0.0267(8) Uani 1 d . .
C15 C 0.8804(5) 1.0620(3) 0.3061(2) 0.0397(11) Uani 1 d . .
H15A H 0.9407(5) 1.0205(3) 0.3091(2) 0.048 Uiso 1 calc R .
C16 C 0.9341(5) 1.1647(4) 0.3137(3) 0.0471(13) Uani 1 d . .
H16A H 1.0311(5) 1.1931(4) 0.3227(3) 0.057 Uiso 1 calc R .
C17 C 0.8482(5) 1.2265(3) 0.3084(2) 0.0446(12) Uani 1 d . .
H17A H 0.8861(5) 1.2970(3) 0.3127(2) 0.054 Uiso 1 calc R .
C18 C 0.7075(5) 1.1855(3) 0.2969(2) 0.0374(10) Uani 1 d . .
H18A H 0.6478(5) 1.2275(3) 0.2936(2) 0.045 Uiso 1 calc R .
C19 C 0.6534(4) 1.0817(3) 0.2902(2) 0.0295(9) Uani 1 d . .
H19A H 0.5563(4) 1.0536(3) 0.2829(2) 0.035 Uiso 1 calc R .
C20 C 0.7184(4) 0.8427(3) 0.3709(2) 0.0264(8) Uani 1 d . .
C21 C 0.7226(5) 0.7447(3) 0.3784(2) 0.0381(10) Uani 1 d . .
H21A H 0.7025(5) 0.6995(3) 0.3383(2) 0.046 Uiso 1 calc R .
C22 C 0.7565(5) 0.7122(4) 0.4448(3) 0.0516(14) Uani 1 d . .
H22A H 0.7599(5) 0.6451(4) 0.4495(3) 0.062 Uiso 1 calc R .
C23 C 0.7848(5) 0.7768(4) 0.5033(3) 0.0486(13) Uani 1 d . .
H23A H 0.8071(5) 0.7542(4) 0.5483(3) 0.058 Uiso 1 calc R .
C24 C 0.7807(5) 0.8735(5) 0.4963(2) 0.0507(13) Uani 1 d . .
H24A H 0.7999(5) 0.9180(5) 0.5367(2) 0.061 Uiso 1 calc R .
C25 C 0.7488(5) 0.9073(4) 0.4306(2) 0.0392(11) Uani 1 d . .
H25A H 0.7476(5) 0.9749(4) 0.4264(2) 0.047 Uiso 1 calc R .
C26 C 0.1392(4) 0.7775(3) 0.2209(2) 0.0244(8) Uani 1 d . .
H26A H 0.0985(4) 0.7207(3) 0.2486(2) 0.029 Uiso 1 calc R .
H26B H 0.0670(4) 0.8076(3) 0.1997(2) 0.029 Uiso 1 calc R .
C27 C 0.1732(4) 0.6093(3) 0.1315(2) 0.0279(9) Uani 1 d . .
C28 C 0.1936(5) 0.5742(4) 0.0665(2) 0.0424(11) Uani 1 d . .
H28A H 0.2316(5) 0.6204(4) 0.0340(2) 0.051 Uiso 1 calc R .
C29 C 0.1583(6) 0.4720(4) 0.0492(3) 0.058(2) Uani 1 d . .
H29A H 0.1720(6) 0.4487(4) 0.0048(3) 0.069 Uiso 1 calc R .
C30 C 0.1033(6) 0.4039(4) 0.0965(3) 0.0572(15) Uani 1 d . .
H30A H 0.0797(6) 0.3341(4) 0.0847(3) 0.069 Uiso 1 calc R .
C31 C 0.0831(5) 0.4384(3) 0.1606(3) 0.0457(12) Uani 1 d . .
H31A H 0.0453(5) 0.3921(3) 0.1931(3) 0.055 Uiso 1 calc R .
C32 C 0.1174(4) 0.5402(3) 0.1782(2) 0.0348(10) Uani 1 d . .
H32A H 0.1027(4) 0.5630(3) 0.2226(2) 0.042 Uiso 1 calc R .
C33 C 0.1869(4) 0.7977(3) 0.0742(2) 0.0258(8) Uani 1 d . .
C34 C 0.2813(4) 0.8271(3) 0.0277(2) 0.0329(9) Uani 1 d . .
H34A H 0.3712(4) 0.8190(3) 0.0385(2) 0.039 Uiso 1 calc R .
C35 C 0.2455(5) 0.8683(3) -0.0349(2) 0.0402(11) Uani 1 d . .
H35A H 0.3102(5) 0.8870(3) -0.0669(2) 0.048 Uiso 1 calc R .
C36 C 0.1161(5) 0.8820(4) -0.0502(2) 0.0435(12) Uani 1 d . .
H36A H 0.0922(5) 0.9116(4) -0.0922(2) 0.052 Uiso 1 calc R .
C37 C 0.0212(5) 0.8525(4) -0.0045(2) 0.0412(11) Uani 1 d . .
H37A H -0.0679(5) 0.8620(4) -0.0152(2) 0.049 Uiso 1 calc R .
C38 C 0.0548(4) 0.8092(3) 0.0570(2) 0.0339(10) Uani 1 d . .
H38A H -0.0121(4) 0.7874(3) 0.0874(2) 0.041 Uiso 1 calc R .
C39 C 0.2605(4) 0.9935(3) 0.2563(2) 0.0248(8) Uani 1 d . .
C40 C 0.2985(4) 1.0690(3) 0.3097(2) 0.0312(9) Uani 1 d . .
H40A H 0.3342(4) 1.0552(3) 0.3553(2) 0.037 Uiso 1 calc R .
C41 C 0.2849(5) 1.1638(3) 0.2975(2) 0.0355(10) Uani 1 d . .
H41A H 0.3116(5) 1.2143(3) 0.3346(2) 0.043 Uiso 1 calc R .
C42 C 0.2326(5) 1.1852(3) 0.2315(2) 0.0359(10) Uani 1 d . .
H42A H 0.2226(5) 1.2499(3) 0.2231(2) 0.043 Uiso 1 calc R .
C43 C 0.1951(5) 1.1108(3) 0.1781(2) 0.0365(10) Uani 1 d . .
H43A H 0.1591(5) 1.1248(3) 0.1326(2) 0.044 Uiso 1 calc R .
C44 C 0.2095(4) 1.0166(3) 0.1900(2) 0.0308(9) Uani 1 d . .
H44A H 0.1841(4) 0.9667(3) 0.1525(2) 0.037 Uiso 1 calc R .
C45 C 0.2686(4) 0.8603(3) 0.3643(2) 0.0234(8) Uani 1 d . .
C46 C 0.1404(5) 0.8374(4) 0.3864(2) 0.0430(12) Uani 1 d . .
H46A H 0.0595(5) 0.8251(4) 0.3530(2) 0.052 Uiso 1 calc R .
C47 C 0.1301(6) 0.8324(4) 0.4572(3) 0.0552(15) Uani 1 d . .
H47A H 0.0418(6) 0.8166(4) 0.4720(3) 0.066 Uiso 1 calc R .
C48 C 0.2468(6) 0.8503(3) 0.5063(2) 0.0444(12) Uani 1 d . .
H48A H 0.2389(6) 0.8461(3) 0.5548(2) 0.053 Uiso 1 calc R .
C49 C 0.3734(5) 0.8740(4) 0.4849(2) 0.0408(11) Uani 1 d . .
H49A H 0.4541(5) 0.8874(4) 0.5186(2) 0.049 Uiso 1 calc R .
C50 C 0.3847(4) 0.8784(3) 0.4140(2) 0.0321(9) Uani 1 d . .
H50A H 0.4733(4) 0.8940(3) 0.3994(2) 0.039 Uiso 1 calc R .
C51 C 0.4827(4) 0.9207(3) 0.1680(2) 0.0235(8) Uani 1 d . .
C52 C 0.3942(4) 0.7094(3) 0.2859(2) 0.0227(8) Uani 1 d . .
C53 C 0.2013(5) 0.5680(4) 0.5299(2) 0.0419(11) Uani 1 d . .
H53A H 0.1401(5) 0.4988(4) 0.5220(2) 0.050 Uiso 1 calc R .
H53B H 0.1442(5) 0.6146(4) 0.5337(2) 0.050 Uiso 1 calc R .
C54 C 0.3052(6) 0.5778(4) 0.5951(3) 0.062(2) Uani 1 d . .
H54A H 0.2727(6) 0.6032(4) 0.6360(3) 0.075 Uiso 1 calc R .
H54B H 0.3223(6) 0.5125(4) 0.6053(3) 0.075 Uiso 1 calc R .
C55 C 0.4331(6) 0.6511(5) 0.5781(3) 0.065(2) Uani 1 d . .
H55A H 0.5167(6) 0.6404(5) 0.6053(3) 0.079 Uiso 1 calc R .
H55B H 0.4313(6) 0.7208(5) 0.5877(3) 0.079 Uiso 1 calc R .
C56 C 0.4286(5) 0.6290(4) 0.5011(3) 0.0502(13) Uani 1 d . .
H56A H 0.4733(5) 0.6901(4) 0.4784(3) 0.060 Uiso 1 calc R .
H56B H 0.4761(5) 0.5773(4) 0.4933(3) 0.060 Uiso 1 calc R .
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'
P P 0.1023 0.0942 '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'
Mn Mn 0.3368 0.7283 '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
N1 Co1 O2 102.95(14) . . ?
N1 Co1 Cl1 111.98(11) . . ?
O2 Co1 Cl1 109.47(12) . . ?
N1 Co1 Cl2 112.00(11) . . ?
O2 Co1 Cl2 105.59(11) . . ?
Cl1 Co1 Cl2 114.03(6) . . ?
C51 Mn1 C52 172.8(2) . . ?
C51 Mn1 P1 92.29(12) . . ?
C52 Mn1 P1 94.95(11) . . ?
C51 Mn1 P2 88.16(13) . . ?
C52 Mn1 P2 93.92(11) . . ?
P1 Mn1 P2 73.57(4) . . ?
C51 Mn1 P4 92.33(12) . . ?
C52 Mn1 P4 80.44(11) . . ?
P1 Mn1 P4 174.73(4) . . ?
P2 Mn1 P4 109.13(4) . . ?
C51 Mn1 P3 92.41(13) . . ?
C52 Mn1 P3 85.84(11) . . ?
P1 Mn1 P3 103.75(4) . . ?
P2 Mn1 P3 177.29(5) . . ?
P4 Mn1 P3 73.50(4) . . ?
C2 P1 C8 101.5(2) . . ?
C2 P1 C1 108.1(2) . . ?
C8 P1 C1 105.2(2) . . ?
C2 P1 Mn1 120.49(14) . . ?
C8 P1 Mn1 124.55(13) . . ?
C1 P1 Mn1 95.05(13) . . ?
C14 P2 C20 102.8(2) . . ?
C14 P2 C1 106.0(2) . . ?
C20 P2 C1 104.9(2) . . ?
C14 P2 Mn1 120.95(14) . . ?
C20 P2 Mn1 124.49(13) . . ?
C1 P2 Mn1 94.72(13) . . ?
C27 P3 C33 101.4(2) . . ?
C27 P3 C26 109.2(2) . . ?
C33 P3 C26 105.7(2) . . ?
C27 P3 Mn1 124.10(14) . . ?
C33 P3 Mn1 120.37(13) . . ?
C26 P3 Mn1 94.27(12) . . ?
C45 P4 C39 101.2(2) . . ?
C45 P4 C26 106.9(2) . . ?
C39 P4 C26 106.0(2) . . ?
C45 P4 Mn1 123.58(13) . . ?
C39 P4 Mn1 122.67(13) . . ?
C26 P4 Mn1 94.10(12) . . ?
C56 O2 C53 110.6(4) . . ?
C56 O2 Co1 122.5(3) . . ?
C53 O2 Co1 125.1(3) . . ?
C52 N1 Co1 162.0(3) . . ?
P1 C1 P2 94.2(2) . . ?
C3 C2 C7 118.3(4) . . ?
C3 C2 P1 120.0(3) . . ?
C7 C2 P1 121.0(3) . . ?
C4 C3 C2 120.2(4) . . ?
C5 C4 C3 120.7(5) . . ?
C4 C5 C6 120.1(4) . . ?
C7 C6 C5 119.6(4) . . ?
C6 C7 C2 121.0(4) . . ?
C9 C8 C13 118.7(4) . . ?
C9 C8 P1 120.3(3) . . ?
C13 C8 P1 121.0(3) . . ?
C8 C9 C10 120.2(4) . . ?
C11 C10 C9 120.4(5) . . ?
C12 C11 C10 119.7(5) . . ?
C11 C12 C13 120.8(5) . . ?
C12 C13 C8 120.3(5) . . ?
C19 C14 C15 118.0(4) . . ?
C19 C14 P2 119.3(3) . . ?
C15 C14 P2 122.7(3) . . ?
C16 C15 C14 120.6(4) . . ?
C17 C16 C15 120.6(4) . . ?
C18 C17 C16 119.9(4) . . ?
C17 C18 C19 119.4(4) . . ?
C14 C19 C18 121.5(4) . . ?
C21 C20 C25 118.6(4) . . ?
C21 C20 P2 120.5(3) . . ?
C25 C20 P2 120.8(3) . . ?
C20 C21 C22 120.2(4) . . ?
C23 C22 C21 120.4(5) . . ?
C24 C23 C22 119.7(5) . . ?
C23 C24 C25 120.6(5) . . ?
C24 C25 C20 120.5(5) . . ?
P3 C26 P4 94.7(2) . . ?
C32 C27 C28 118.7(4) . . ?
C32 C27 P3 122.3(3) . . ?
C28 C27 P3 118.6(3) . . ?
C29 C28 C27 120.3(5) . . ?
C30 C29 C28 120.3(5) . . ?
C31 C30 C29 119.5(4) . . ?
C30 C31 C32 120.6(5) . . ?
C31 C32 C27 120.6(4) . . ?
C34 C33 C38 118.8(4) . . ?
C34 C33 P3 118.9(3) . . ?
C38 C33 P3 122.3(3) . . ?
C33 C34 C35 120.7(4) . . ?
C36 C35 C34 119.8(4) . . ?
C35 C36 C37 119.9(4) . . ?
C36 C37 C38 120.6(4) . . ?
C37 C38 C33 120.1(4) . . ?
C44 C39 C40 117.9(4) . . ?
C44 C39 P4 121.4(3) . . ?
C40 C39 P4 120.5(3) . . ?
C41 C40 C39 121.1(4) . . ?
C42 C41 C40 120.3(4) . . ?
C43 C42 C41 119.0(4) . . ?
C44 C43 C42 120.8(4) . . ?
C43 C44 C39 120.9(4) . . ?
C50 C45 C46 118.8(4) . . ?
C50 C45 P4 119.0(3) . . ?
C46 C45 P4 122.1(3) . . ?
C45 C46 C47 120.0(5) . . ?
C48 C47 C46 120.6(4) . . ?
C49 C48 C47 119.6(4) . . ?
C48 C49 C50 120.1(5) . . ?
C45 C50 C49 120.7(4) . . ?
O1 C51 Mn1 177.2(3) . . ?
N1 C52 Mn1 172.3(3) . . ?
O2 C53 C54 104.7(4) . . ?
C55 C54 C53 104.5(4) . . ?
C54 C55 C56 103.3(4) . . ?
O2 C56 C55 105.3(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 N1 1.970(3) . ?
Co1 O2 2.004(3) . ?
Co1 Cl1 2.2276(13) . ?
Co1 Cl2 2.2510(14) . ?
Mn1 C51 1.791(4) . ?
Mn1 C52 1.960(4) . ?
Mn1 P1 2.2688(12) . ?
Mn1 P2 2.2765(13) . ?
Mn1 P4 2.2770(12) . ?
Mn1 P3 2.2845(13) . ?
P1 C2 1.828(4) . ?
P1 C8 1.830(4) . ?
P1 C1 1.857(4) . ?
P2 C14 1.830(4) . ?
P2 C20 1.837(4) . ?
P2 C1 1.860(4) . ?
P3 C27 1.833(4) . ?
P3 C33 1.841(4) . ?
P3 C26 1.848(4) . ?
P4 C45 1.828(4) . ?
P4 C39 1.830(4) . ?
P4 C26 1.863(4) . ?
O1 C51 1.168(4) . ?
O2 C56 1.447(6) . ?
O2 C53 1.452(5) . ?
N1 C52 1.169(5) . ?
C2 C3 1.398(6) . ?
C2 C7 1.399(5) . ?
C3 C4 1.394(6) . ?
C4 C5 1.365(7) . ?
C5 C6 1.395(7) . ?
C6 C7 1.384(6) . ?
C8 C9 1.391(6) . ?
C8 C13 1.393(6) . ?
C9 C10 1.392(6) . ?
C10 C11 1.379(7) . ?
C11 C12 1.366(8) . ?
C12 C13 1.388(7) . ?
C14 C19 1.384(6) . ?
C14 C15 1.397(6) . ?
C15 C16 1.382(6) . ?
C16 C17 1.381(7) . ?
C17 C18 1.376(7) . ?
C18 C19 1.396(6) . ?
C20 C21 1.387(6) . ?
C20 C25 1.393(6) . ?
C21 C22 1.398(6) . ?
C22 C23 1.376(7) . ?
C23 C24 1.367(7) . ?
C24 C25 1.391(6) . ?
C27 C32 1.391(6) . ?
C27 C28 1.397(6) . ?
C28 C29 1.391(6) . ?
C29 C30 1.389(8) . ?
C30 C31 1.378(7) . ?
C31 C32 1.387(6) . ?
C33 C34 1.388(5) . ?
C33 C38 1.397(6) . ?
C34 C35 1.395(6) . ?
C35 C36 1.379(7) . ?
C36 C37 1.381(7) . ?
C37 C38 1.386(6) . ?
C39 C44 1.393(6) . ?
C39 C40 1.394(5) . ?
C40 C41 1.386(6) . ?
C41 C42 1.384(6) . ?
C42 C43 1.383(6) . ?
C43 C44 1.380(6) . ?
C45 C50 1.382(6) . ?
C45 C46 1.384(6) . ?
C46 C47 1.385(6) . ?
C47 C48 1.380(7) . ?
C48 C49 1.363(7) . ?
C49 C50 1.390(6) . ?
C53 C54 1.511(7) . ?
C54 C55 1.500(8) . ?
C55 C56 1.501(7) . ?
