#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:39:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178718 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/29/4082943.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_4082943
loop_
_publ_author_name
'Karthikeyan, I.'
'Alamsetti, S. K.'
'Sekar, G.'
_publ_section_title
;
 Isolation and Characterization of a Trinuclear Cobalt Complex Containing
 Trigonal-Prismatic Cobalt in Secondary Alcohol Aerobic Oxidation
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1665
_journal_paper_doi               10.1021/om500003d
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C44 H55 Co3 N3 O17'
_chemical_formula_weight         1074.70
_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-97
_cell_angle_alpha                91.643(2)
_cell_angle_beta                 108.545(2)
_cell_angle_gamma                118.316(2)
_cell_formula_units_Z            2
_cell_length_a                   12.6137(7)
_cell_length_b                   13.1611(7)
_cell_length_c                   17.9352(10)
_cell_measurement_reflns_used    4323
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      2.6
_cell_volume                     2426.9(2)
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altornare et al., 1993)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.835
_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       'ω and φ 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  0.0349
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29310
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         1.80
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.086
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_correction_T_min  0.612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1999)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1114
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.412
_refine_diff_density_min         -0.831
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         10143
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0567
_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)+(0.0972P)²+6.7090P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1631
_refine_ls_wR_factor_ref         0.1837
_reflns_number_gt                7667
_reflns_number_total             10143
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500003d_si_002.cif
_cod_data_source_block           shelxl
_cod_depositor_comments          'Adding full bibliography for 4082943.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4082943
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.9697(6) 0.5902(5) 0.2184(3) 0.0419(12) Uani 1 1 d .
H1 H 0.8924 0.5224 0.1826 0.050 Uiso 1 1 calc R
C2 C 1.0592(6) 0.6626(6) 0.1890(4) 0.0515(15) Uani 1 1 d .
H2 H 1.0428 0.6476 0.1332 0.062 Uiso 1 1 calc R
C3 C 1.1745(6) 0.7587(5) 0.2416(4) 0.0521(15) Uani 1 1 d .
H3 H 1.2396 0.8083 0.2225 0.063 Uiso 1 1 calc R
C4 C 1.1943(5) 0.7820(5) 0.3221(3) 0.0434(12) Uani 1 1 d .
H4 H 1.2722 0.8486 0.3585 0.052 Uiso 1 1 calc R
C5 C 1.0983(5) 0.7063(4) 0.3492(3) 0.0346(10) Uani 1 1 d .
C6 C 1.1123(4) 0.7197(4) 0.4350(3) 0.0319(10) Uani 1 1 d .
H6 H 1.1819 0.7035 0.4660 0.038 Uiso 1 1 calc R
C7 C 1.1482(5) 0.8411(5) 0.4736(3) 0.0416(12) Uani 1 1 d .
C8 C 1.0884(6) 0.9003(5) 0.4330(5) 0.0607(17) Uani 1 1 d .
H8 H 1.0293 0.8676 0.3785 0.073 Uiso 1 1 calc R
C9 C 1.1147(9) 1.0038(6) 0.4710(7) 0.086(3) Uani 1 1 d .
H9 H 1.0743 1.0437 0.4424 0.103 Uiso 1 1 calc R
C10 C 1.1963(12) 1.0526(7) 0.5481(9) 0.114(5) Uani 1 1 d .
H10 H 1.2115 1.1252 0.5734 0.136 Uiso 1 1 calc R
C11 C 1.2585(11) 0.9973(8) 0.5911(6) 0.108(4) Uani 1 1 d .
H11 H 1.3164 1.0314 0.6457 0.130 Uiso 1 1 calc R
C12 C 1.2342(7) 0.8900(6) 0.5522(4) 0.0661(19) Uani 1 1 d .
H12 H 1.2770 0.8514 0.5801 0.079 Uiso 1 1 calc R
C13 C 0.7269(5) 0.6111(5) 0.2750(3) 0.0363(11) Uani 1 1 d .
H13 H 0.7754 0.6357 0.2413 0.044 Uiso 1 1 calc R
C14 C 0.6321(5) 0.6387(5) 0.2662(3) 0.0407(12) Uani 1 1 d .
H14 H 0.6152 0.6812 0.2266 0.049 Uiso 1 1 calc R
C15 C 0.5616(5) 0.6044(5) 0.3150(3) 0.0420(12) Uani 1 1 d .
H15 H 0.4960 0.6233 0.3099 0.050 Uiso 1 1 calc R
C16 C 0.5882(5) 0.5421(4) 0.3713(3) 0.0367(11) Uani 1 1 d .
H16 H 0.5407 0.5171 0.4056 0.044 Uiso 1 1 calc R
C17 C 0.6841(4) 0.5166(4) 0.3775(3) 0.0282(9) Uani 1 1 d .
C18 C 0.7286(4) 0.4567(4) 0.4413(3) 0.0278(9) Uani 1 1 d .
H18 H 0.7811 0.5149 0.4941 0.033 Uiso 1 1 calc R
C19 C 0.6198(4) 0.3471(4) 0.4513(3) 0.0287(9) Uani 1 1 d .
C20 C 0.6146(5) 0.3379(5) 0.5268(3) 0.0400(11) Uani 1 1 d .
H20 H 0.6715 0.4039 0.5708 0.048 Uiso 1 1 calc R
C21 C 0.5251(6) 0.2309(5) 0.5379(4) 0.0492(14) Uani 1 1 d .
H21 H 0.5216 0.2236 0.5897 0.059 Uiso 1 1 calc R
C22 C 0.4434(5) 0.1375(5) 0.4747(4) 0.0487(14) Uani 1 1 d .
H22 H 0.3831 0.0649 0.4828 0.058 Uiso 1 1 calc R
C23 C 0.4458(5) 0.1457(5) 0.4000(4) 0.0496(14) Uani 1 1 d .
H23 H 0.3875 0.0792 0.3564 0.059 Uiso 1 1 calc R
C24 C 0.5344(5) 0.2521(5) 0.3873(3) 0.0404(12) Uani 1 1 d .
H24 H 0.5356 0.2588 0.3350 0.048 Uiso 1 1 calc R
C25 C 0.6733(5) 0.3249(5) 0.2097(3) 0.0361(11) Uani 1 1 d .
H25 H 0.6392 0.3758 0.1981 0.043 Uiso 1 1 calc R
C26 C 0.6044(5) 0.2125(5) 0.1629(3) 0.0393(11) Uani 1 1 d .
H26 H 0.5228 0.1852 0.1205 0.047 Uiso 1 1 calc R
C27 C 0.6561(5) 0.1415(5) 0.1788(3) 0.0461(13) Uani 1 1 d .
H27 H 0.6114 0.0646 0.1459 0.055 Uiso 1 1 calc R
C28 C 0.7719(5) 0.1797(5) 0.2418(3) 0.0409(12) Uani 1 1 d .
H28 H 0.8069 0.1294 0.2540 0.049 Uiso 1 1 calc R
C29 C 0.8371(4) 0.2945(4) 0.2876(3) 0.0315(10) Uani 1 1 d .
C30 C 0.9613(4) 0.3420(4) 0.3608(3) 0.0285(9) Uani 1 1 d .
H30 H 0.9420 0.3009 0.4049 0.034 Uiso 1 1 calc R
C31 C 1.0659(4) 0.3306(4) 0.3447(3) 0.0308(10) Uani 1 1 d .
C32 C 1.1077(5) 0.3751(5) 0.2843(3) 0.0435(12) Uani 1 1 d .
H32 H 1.0688 0.4126 0.2509 0.052 Uiso 1 1 calc R
C33 C 1.2061(5) 0.3656(6) 0.2720(4) 0.0530(15) Uani 1 1 d .
H33 H 1.2339 0.3953 0.2298 0.064 Uiso 1 1 calc R
C34 C 1.2630(5) 0.3126(5) 0.3214(4) 0.0516(15) Uani 1 1 d .
H34 H 1.3296 0.3047 0.3129 0.062 Uiso 1 1 calc R
C35 C 1.2249(5) 0.2717(5) 0.3822(4) 0.0517(15) Uani 1 1 d .
H35 H 1.2668 0.2375 0.4170 0.062 Uiso 1 1 calc R
C36 C 1.1261(5) 0.2790(5) 0.3943(3) 0.0422(12) Uani 1 1 d .
H36 H 1.0992 0.2488 0.4366 0.051 Uiso 1 1 calc R
C37 C 0.7241(4) 0.8591(4) 0.8569(3) 0.0299(10) Uani 1 1 d .
C38 C 0.7286(6) 0.9724(5) 0.8412(4) 0.0501(14) Uani 1 1 d .
H38A H 0.6553 0.9553 0.7919 0.075 Uiso 1 1 calc R
H38B H 0.8104 1.0257 0.8350 0.075 Uiso 1 1 calc R
H38C H 0.7230 1.0100 0.8867 0.075 Uiso 1 1 calc R
C39 C 0.9306(4) 0.9010(4) 1.1505(3) 0.0274(9) Uani 1 1 d .
C40 C 1.0108(6) 1.0239(5) 1.2026(3) 0.0470(13) Uani 1 1 d .
H40A H 0.9605 1.0364 1.2299 0.070 Uiso 1 1 calc R
H40B H 1.0338 1.0820 1.1690 0.070 Uiso 1 1 calc R
H40C H 1.0903 1.0332 1.2429 0.070 Uiso 1 1 calc R
C41 C 1.0342(4) 0.7922(4) 0.9649(3) 0.0298(9) Uani 1 1 d .
C42 C 1.1153(6) 0.7477(5) 0.9453(5) 0.0632(19) Uani 1 1 d .
H42A H 1.1833 0.7567 0.9952 0.095 Uiso 1 1 calc R
H42B H 1.1555 0.7936 0.9099 0.095 Uiso 1 1 calc R
H42C H 1.0595 0.6641 0.9181 0.095 Uiso 1 1 calc R
C43 C 0.5077(4) 0.6491(4) 0.9775(3) 0.0292(9) Uani 1 1 d .
C44 C 0.4294(5) 0.6673(6) 1.0182(4) 0.0524(15) Uani 1 1 d .
H44A H 0.3410 0.5985 0.9979 0.079 Uiso 1 1 calc R
H44B H 0.4260 0.7383 1.0069 0.079 Uiso 1 1 calc R
H44C H 0.4700 0.6768 1.0764 0.079 Uiso 1 1 calc R
N1 N 0.9871(4) 0.6113(4) 0.2969(2) 0.0310(8) Uani 1 1 d .
N2 N 0.7531(4) 0.5513(3) 0.3289(2) 0.0291(8) Uani 1 1 d .
N3 N 0.7873(4) 0.3649(3) 0.2713(2) 0.0303(8) Uani 1 1 d .
O1 O 0.9939(3) 0.6360(3) 0.44260(18) 0.0269(6) Uani 1 1 d .
O2 O 0.8093(3) 0.4223(3) 0.42112(17) 0.0262(6) Uani 1 1 d .
O3 O 1.0077(2) 0.4609(2) 0.3846(2) 0.0285(7) Uani 1 1 d .
O4 O 0.8143(3) 0.8668(2) 0.92099(17) 0.0243(6) Uani 1 1 d .
O5 O 0.9245(3) 0.8873(2) 1.07811(16) 0.0224(6) Uani 1 1 d .
O6 O 1.0751(3) 0.9012(3) 0.97277(19) 0.0286(7) Uani 1 1 d .
O7 O 0.9319(3) 0.7170(3) 0.9722(2) 0.0302(7) Uani 1 1 d .
O8 O 0.6236(3) 0.7347(3) 0.99420(18) 0.0284(6) Uani 1 1 d .
H8A H 0.6258 0.7991 1.0009 0.043 Uiso 1 1 calc R
O9 O 0.6504(3) 0.5918(3) 0.8810(2) 0.0323(7) Uani 1 1 d .
O10 O 0.7698(3) 0.6255(3) 1.0692(2) 0.0315(7) Uani 1 1 d .
O11 O 0.6359(3) 0.7642(3) 0.81036(19) 0.0399(8) Uani 1 1 d .
O12 O 0.8726(4) 0.8186(3) 1.18049(19) 0.0438(9) Uani 1 1 d .
O13 O 0.4584(3) 0.5537(3) 0.93024(19) 0.0322(7) Uani 1 1 d .
O14 O 0.2887(11) 0.5855(8) 0.1638(6) 0.071(3) Uani 0.50 1 d P
O15 O 0.6969(5) 0.9010(5) 0.2011(3) 0.0738(13) Uani 1 1 d .
O16 O 0.4404(13) 0.8216(11) 0.1959(12) 0.151(8) Uani 0.50 1 d P
O17 O 0.6882(3) 0.9582(3) 0.0465(2) 0.0429(9) Uani 1 1 d .
O18 O 0.4398(7) 0.9305(7) 0.0319(5) 0.0499(19) Uani 0.50 1 d P
O19 O 0.1043(9) 0.5076(8) 0.0167(5) 0.063(2) Uiso 0.50 1 d P
Co1 Co 0.88552(5) 0.50935(5) 0.35243(3) 0.02523(16) Uani 1 1 d .
Co2 Co 1.0000 0.5000 0.5000 0.02037(18) Uani 1 2 d S
Co3 Co 1.0000 1.0000 1.0000 0.01900(18) Uani 1 2 d S
Co4 Co 0.78410(5) 0.73207(4) 0.98512(3) 0.02005(15) Uani 1 1 d .
H9A H 0.574(6) 0.559(6) 0.891(4) 0.054(17) Uiso 1 1 d .
H9B H 0.647(7) 0.640(6) 0.843(4) 0.064(19) Uiso 1 1 d .
H10A H 0.803(7) 0.675(6) 1.109(4) 0.06(2) Uiso 1 1 d .
H10B H 0.697(6) 0.569(6) 1.067(3) 0.043(16) Uiso 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'
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
N1 C1 C2 122.2(5) . .
N1 C1 H1 118.9 . .
C2 C1 H1 118.9 . .
C1 C2 C3 119.1(5) . .
C1 C2 H2 120.5 . .
C3 C2 H2 120.5 . .
C4 C3 C2 119.6(5) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
C3 C4 C5 119.2(5) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
N1 C5 C4 120.2(5) . .
N1 C5 C6 116.1(4) . .
C4 C5 C6 123.6(5) . .
O1 C6 C5 110.4(4) . .
O1 C6 C7 107.5(4) . .
C5 C6 C7 114.2(4) . .
O1 C6 H6 108.2 . .
C5 C6 H6 108.2 . .
C7 C6 H6 108.2 . .
C12 C7 C8 119.4(6) . .
C12 C7 C6 119.3(6) . .
C8 C7 C6 121.2(5) . .
C9 C8 C7 119.8(8) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C10 C9 C8 122.1(9) . .
C10 C9 H9 118.9 . .
C8 C9 H9 118.9 . .
C9 C10 C11 120.2(8) . .
C9 C10 H10 119.9 . .
C11 C10 H10 119.9 . .
C10 C11 C12 118.7(9) . .
C10 C11 H11 120.7 . .
C12 C11 H11 120.7 . .
C7 C12 C11 119.7(9) . .
C7 C12 H12 120.1 . .
C11 C12 H12 120.1 . .
N2 C13 C14 122.1(5) . .
N2 C13 H13 118.9 . .
C14 C13 H13 118.9 . .
C13 C14 C15 119.7(4) . .
C13 C14 H14 120.1 . .
C15 C14 H14 120.1 . .
C14 C15 C16 118.6(4) . .
C14 C15 H15 120.7 . .
C16 C15 H15 120.7 . .
C17 C16 C15 119.3(5) . .
C17 C16 H16 120.4 . .
C15 C16 H16 120.4 . .
N2 C17 C16 121.4(4) . .
N2 C17 C18 114.6(4) . .
C16 C17 C18 123.9(4) . .
O2 C18 C19 107.1(3) . .
O2 C18 C17 109.3(3) . .
C19 C18 C17 114.7(3) . .
O2 C18 H18 108.5 . .
C19 C18 H18 108.5 . .
C17 C18 H18 108.5 . .
C24 C19 C20 119.9(4) . .
C24 C19 C18 120.1(4) . .
C20 C19 C18 119.7(4) . .
C19 C20 C21 119.6(5) . .
C19 C20 H20 120.2 . .
C21 C20 H20 120.2 . .
C22 C21 C20 119.9(5) . .
C22 C21 H21 120.1 . .
C20 C21 H21 120.1 . .
C21 C22 C23 121.3(5) . .
C21 C22 H22 119.3 . .
C23 C22 H22 119.3 . .
C22 C23 C24 119.9(5) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
C19 C24 C23 119.5(5) . .
C19 C24 H24 120.3 . .
C23 C24 H24 120.3 . .
N3 C25 C26 122.1(5) . .
N3 C25 H25 119.0 . .
C26 C25 H25 119.0 . .
C27 C26 C25 118.4(5) . .
C27 C26 H26 120.8 . .
C25 C26 H26 120.8 . .
C26 C27 C28 120.8(5) . .
C26 C27 H27 119.6 . .
C28 C27 H27 119.6 . .
C27 C28 C29 118.2(5) . .
C27 C28 H28 120.9 . .
C29 C28 H28 120.9 . .
N3 C29 C28 121.0(4) . .
N3 C29 C30 116.9(4) . .
C28 C29 C30 122.0(4) . .
O3 C30 C31 107.8(3) . .
O3 C30 C29 106.6(3) . .
C31 C30 C29 113.8(4) . .
O3 C30 H30 109.5 . .
C31 C30 H30 109.5 . .
C29 C30 H30 109.5 . .
C32 C31 C36 119.0(4) . .
C32 C31 C30 121.7(4) . .
C36 C31 C30 119.2(4) . .
C31 C32 C33 120.5(5) . .
C31 C32 H32 119.8 . .
C33 C32 H32 119.8 . .
C34 C33 C32 119.3(5) . .
C34 C33 H33 120.3 . .
C32 C33 H33 120.3 . .
C35 C34 C33 120.4(5) . .
C35 C34 H34 119.8 . .
C33 C34 H34 119.8 . .
C34 C35 C36 120.8(5) . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
C35 C36 C31 119.9(5) . .
C35 C36 H36 120.0 . .
C31 C36 H36 120.0 . .
O11 C37 O4 123.1(4) . .
O11 C37 C38 120.0(4) . .
O4 C37 C38 116.9(4) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
O12 C39 O5 123.6(4) . .
O12 C39 C40 117.5(4) . .
O5 C39 C40 118.9(4) . .
C39 C40 H40A 109.5 . .
C39 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C39 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
O7 C41 O6 125.4(4) . .
O7 C41 C42 117.0(4) . .
O6 C41 C42 117.7(4) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
O13 C43 O8 123.7(4) . .
O13 C43 C44 119.4(4) . .
O8 C43 C44 116.9(4) . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C1 N1 C5 119.6(4) . .
C1 N1 Co1 128.2(4) . .
C5 N1 Co1 111.4(3) . .
C13 N2 C17 118.9(4) . .
C13 N2 Co1 128.0(3) . .
C17 N2 Co1 113.1(3) . .
C29 N3 C25 119.5(4) . .
C29 N3 Co1 111.9(3) . .
C25 N3 Co1 128.2(3) . .
C6 O1 Co1 112.1(3) . .
C6 O1 Co2 115.5(3) . .
Co1 O1 Co2 81.82(11) . .
C18 O2 Co1 113.3(2) . .
C18 O2 Co2 117.2(3) . .
Co1 O2 Co2 83.08(11) . .
C30 O3 Co1 116.5(2) . .
C30 O3 Co2 111.4(2) . .
Co1 O3 Co2 80.66(11) . .
C37 O4 Co4 122.7(3) . .
C37 O4 Co3 136.7(3) . .
Co4 O4 Co3 99.88(11) . .
C39 O5 Co4 125.4(3) . .
C39 O5 Co3 136.9(3) . .
Co4 O5 Co3 96.27(11) . .
C41 O6 Co3 131.2(3) . .
C41 O7 Co4 130.6(3) . .
C43 O8 Co4 129.4(3) . .
C43 O8 H8A 109.5 . .
Co4 O8 H8A 120.0 . .
Co4 O9 H9A 102(4) . .
Co4 O9 H9B 97(4) . .
H9A O9 H9B 110(5) . .
Co4 O10 H10A 99(5) . .
Co4 O10 H10B 122(4) . .
H10A O10 H10B 110(6) . .
O3 Co1 O1 87.84(13) . .
O3 Co1 O2 88.04(13) . .
O1 Co1 O2 86.37(13) . .
O3 Co1 N1 87.38(14) . .
O1 Co1 N1 85.95(15) . .
O2 Co1 N1 171.20(15) . .
O3 Co1 N2 173.37(15) . .
O1 Co1 N2 90.75(15) . .
O2 Co1 N2 85.40(14) . .
N1 Co1 N2 98.99(16) . .
O3 Co1 N3 83.28(15) . .
O1 Co1 N3 169.88(14) . .
O2 Co1 N3 88.47(15) . .
N1 Co1 N3 98.45(17) . .
N2 Co1 N3 97.52(16) . .
O3 Co1 Co2 54.51(11) . .
O1 Co1 Co2 52.88(9) . .
O2 Co1 Co2 51.39(9) . .
N1 Co1 Co2 120.05(12) . .
N2 Co1 Co2 119.88(11) . .
N3 Co1 Co2 117.39(11) . .
O2 Co2 O2 180.00(17) . 2_766
O2 Co2 O1 76.25(11) . .
O2 Co2 O1 103.75(11) 2_766 .
O2 Co2 O1 103.75(11) . 2_766
O2 Co2 O1 76.25(11) 2_766 2_766
O1 Co2 O1 179.999(1) . 2_766
O2 Co2 O3 76.25(11) . .
O2 Co2 O3 103.75(11) 2_766 .
O1 Co2 O3 75.08(11) . .
O1 Co2 O3 104.92(11) 2_766 .
O2 Co2 O3 103.75(11) . 2_766
O2 Co2 O3 76.25(11) 2_766 2_766
O1 Co2 O3 104.92(11) . 2_766
O1 Co2 O3 75.08(11) 2_766 2_766
O3 Co2 O3 179.999(1) . 2_766
O2 Co2 Co1 45.52(8) . .
O2 Co2 Co1 134.48(8) 2_766 .
O1 Co2 Co1 45.31(8) . .
O1 Co2 Co1 134.69(8) 2_766 .
O3 Co2 Co1 44.83(7) . .
O3 Co2 Co1 135.17(7) 2_766 .
O2 Co2 Co1 134.48(8) . 2_766
O2 Co2 Co1 45.52(8) 2_766 2_766
O1 Co2 Co1 134.69(8) . 2_766
O1 Co2 Co1 45.31(8) 2_766 2_766
O3 Co2 Co1 135.17(7) . 2_766
O3 Co2 Co1 44.83(7) 2_766 2_766
Co1 Co2 Co1 180.00(3) . 2_766
O6 Co3 O6 180.000(2) 2_777 .
O6 Co3 O4 91.05(12) 2_777 .
O6 Co3 O4 88.95(12) . .
O6 Co3 O4 88.95(12) 2_777 2_777
O6 Co3 O4 91.05(12) . 2_777
O4 Co3 O4 180.00(15) . 2_777
O6 Co3 O5 88.48(11) 2_777 .
O6 Co3 O5 91.52(11) . .
O4 Co3 O5 76.93(10) . .
O4 Co3 O5 103.07(10) 2_777 .
O6 Co3 O5 91.52(11) 2_777 2_777
O6 Co3 O5 88.48(11) . 2_777
O4 Co3 O5 103.07(10) . 2_777
O4 Co3 O5 76.93(11) 2_777 2_777
O5 Co3 O5 180.000(2) . 2_777
O7 Co4 O10 91.26(13) . .
O7 Co4 O4 92.57(12) . .
O10 Co4 O4 168.25(14) . .
O7 Co4 O8 175.89(12) . .
O10 Co4 O8 87.32(13) . .
O4 Co4 O8 89.57(12) . .
O7 Co4 O9 88.83(13) . .
O10 Co4 O9 96.42(15) . .
O4 Co4 O9 94.76(13) . .
O8 Co4 O9 87.49(13) . .
O7 Co4 O5 89.56(12) . .
O10 Co4 O5 91.18(13) . .
O4 Co4 O5 77.75(11) . .
O8 Co4 O5 94.33(11) . .
O9 Co4 O5 172.26(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.354(6) .
C1 C2 1.358(7) .
C1 H1 0.9500 .
C2 C3 1.385(9) .
C2 H2 0.9500 .
C3 C4 1.383(8) .
C3 H3 0.9500 .
C4 C5 1.397(6) .
C4 H4 0.9500 .
C5 N1 1.357(6) .
C5 C6 1.488(7) .
C6 O1 1.429(5) .
C6 C7 1.512(7) .
C6 H6 1.0000 .
C7 C12 1.375(9) .
C7 C8 1.396(9) .
C8 C9 1.344(10) .
C8 H8 0.9500 .
C9 C10 1.342(15) .
C9 H9 0.9500 .
C10 C11 1.389(16) .
C10 H10 0.9500 .
C11 C12 1.404(12) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 N2 1.323(6) .
C13 C14 1.371(7) .
C13 H13 0.9500 .
C14 C15 1.377(8) .
C14 H14 0.9500 .
C15 C16 1.378(7) .
C15 H15 0.9500 .
C16 C17 1.376(7) .
C16 H16 0.9500 .
C17 N2 1.360(6) .
C17 C18 1.519(6) .
C18 O2 1.427(5) .
C18 C19 1.513(6) .
C18 H18 1.0000 .
C19 C24 1.376(7) .
C19 C20 1.382(6) .
C20 C21 1.395(8) .
C20 H20 0.9500 .
C21 C22 1.354(9) .
C21 H21 0.9500 .
C22 C23 1.354(8) .
C22 H22 0.9500 .
C23 C24 1.400(7) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 N3 1.343(6) .
C25 C26 1.375(7) .
C25 H25 0.9500 .
C26 C27 1.363(8) .
C26 H26 0.9500 .
C27 C28 1.373(7) .
C27 H27 0.9500 .
C28 C29 1.398(7) .
C28 H28 0.9500 .
C29 N3 1.338(6) .
C29 C30 1.512(6) .
C30 O3 1.382(5) .
C30 C31 1.507(6) .
C30 H30 1.0000 .
C31 C32 1.379(7) .
C31 C36 1.386(7) .
C32 C33 1.388(7) .
C32 H32 0.9500 .
C33 C34 1.376(9) .
C33 H33 0.9500 .
C34 C35 1.354(9) .
C34 H34 0.9500 .
C35 C36 1.376(8) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 O11 1.235(6) .
C37 O4 1.294(5) .
C37 C38 1.504(7) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 O12 1.238(5) .
C39 O5 1.278(5) .
C39 C40 1.507(7) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 O7 1.251(5) .
C41 O6 1.259(5) .
C41 C42 1.516(7) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 O13 1.243(6) .
C43 O8 1.279(5) .
C43 C44 1.496(7) .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
N1 Co1 1.921(4) .
N2 Co1 1.927(4) .
N3 Co1 1.931(4) .
O1 Co1 1.881(3) .
O1 Co2 2.110(3) .
O2 Co1 1.883(3) .
O2 Co2 2.062(3) .
O3 Co1 1.871(2) .
O3 Co2 2.162(3) .
O4 Co4 2.090(3) .
O4 Co3 2.102(3) .
O5 Co4 2.142(3) .
O5 Co3 2.167(3) .
O6 Co3 2.062(3) .
O7 Co4 2.047(3) .
O8 Co4 2.097(3) .
O8 H8A 0.8400 .
O9 Co4 2.141(3) .
O9 H9A 0.94(7) .
O9 H9B 0.95(7) .
O10 Co4 2.080(3) .
O10 H10A 0.79(7) .
O10 H10B 0.85(7) .
Co1 Co2 2.6195(6) .
Co2 O2 2.062(3) 2_766
Co2 O1 2.110(3) 2_766
Co2 O3 2.162(3) 2_766
Co2 Co1 2.6195(6) 2_766
Co3 O6 2.062(3) 2_777
Co3 O4 2.102(3) 2_777
Co3 O5 2.167(3) 2_777
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
O8 H8A O17 0.84 1.90 2.698(5) 159.0 1_556
O9 H9A O13 0.94(7) 1.78(7) 2.670(5) 158(6) .
O9 H9B O11 0.95(7) 1.81(7) 2.683(5) 152(6) .
O10 H10A O12 0.79(7) 1.89(7) 2.657(5) 163(7) .
O10 H10B O13 0.85(7) 1.88(7) 2.726(4) 176(5) 2_667
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 2.7(9) .
C1 C2 C3 C4 -2.6(9) .
C2 C3 C4 C5 1.4(8) .
C3 C4 C5 N1 -0.1(7) .
C3 C4 C5 C6 177.0(5) .
N1 C5 C6 O1 -8.1(6) .
C4 C5 C6 O1 174.7(4) .
N1 C5 C6 C7 -129.4(4) .
C4 C5 C6 C7 53.4(6) .
O1 C6 C7 C12 95.6(5) .
C5 C6 C7 C12 -141.5(5) .
O1 C6 C7 C8 -79.6(5) .
C5 C6 C7 C8 43.3(6) .
C12 C7 C8 C9 -0.4(8) .
C6 C7 C8 C9 174.8(5) .
C7 C8 C9 C10 -0.9(10) .
C8 C9 C10 C11 1.1(12) .
C9 C10 C11 C12 -0.1(12) .
C8 C7 C12 C11 1.4(8) .
C6 C7 C12 C11 -173.9(5) .
C10 C11 C12 C7 -1.2(10) .
N2 C13 C14 C15 0.5(8) .
C13 C14 C15 C16 -0.4(8) .
C14 C15 C16 C17 0.3(8) .
C15 C16 C17 N2 -0.1(7) .
C15 C16 C17 C18 175.2(4) .
N2 C17 C18 O2 -15.9(5) .
C16 C17 C18 O2 168.5(4) .
N2 C17 C18 C19 -136.2(4) .
C16 C17 C18 C19 48.2(6) .
O2 C18 C19 C24 -61.8(5) .
C17 C18 C19 C24 59.7(6) .
O2 C18 C19 C20 111.4(5) .
C17 C18 C19 C20 -127.1(5) .
C24 C19 C20 C21 1.9(7) .
C18 C19 C20 C21 -171.4(5) .
C19 C20 C21 C22 -0.6(8) .
C20 C21 C22 C23 -0.4(9) .
C21 C22 C23 C24 0.2(9) .
C20 C19 C24 C23 -2.1(8) .
C18 C19 C24 C23 171.2(5) .
C22 C23 C24 C19 1.1(8) .
N3 C25 C26 C27 -1.8(8) .
C25 C26 C27 C28 2.3(8) .
C26 C27 C28 C29 -1.9(8) .
C27 C28 C29 N3 0.9(8) .
C27 C28 C29 C30 176.6(5) .
N3 C29 C30 O3 -11.9(5) .
C28 C29 C30 O3 172.3(4) .
N3 C29 C30 C31 -130.5(4) .
C28 C29 C30 C31 53.6(6) .
O3 C30 C31 C32 -63.6(6) .
C29 C30 C31 C32 54.3(6) .
O3 C30 C31 C36 113.2(5) .
C29 C30 C31 C36 -128.8(5) .
C36 C31 C32 C33 1.7(8) .
C30 C31 C32 C33 178.6(5) .
C31 C32 C33 C34 -0.9(9) .
C32 C33 C34 C35 -0.9(9) .
C33 C34 C35 C36 1.9(9) .
C34 C35 C36 C31 -1.1(9) .
C32 C31 C36 C35 -0.8(8) .
C30 C31 C36 C35 -177.7(5) .
C2 C1 N1 C5 -1.5(7) .
C2 C1 N1 Co1 -170.4(4) .
C4 C5 N1 C1 0.1(7) .
C6 C5 N1 C1 -177.2(4) .
C4 C5 N1 Co1 170.8(4) .
C6 C5 N1 Co1 -6.5(5) .
C14 C13 N2 C17 -0.3(7) .
C14 C13 N2 Co1 -177.7(4) .
C16 C17 N2 C13 0.2(7) .
C18 C17 N2 C13 -175.6(4) .
C16 C17 N2 Co1 177.9(3) .
C18 C17 N2 Co1 2.1(5) .
C28 C29 N3 C25 -0.4(7) .
C30 C29 N3 C25 -176.3(4) .
C28 C29 N3 Co1 172.2(4) .
C30 C29 N3 Co1 -3.7(5) .
C26 C25 N3 C29 0.9(7) .
C26 C25 N3 Co1 -170.5(4) .
C5 C6 O1 Co1 19.2(4) .
C7 C6 O1 Co1 144.4(3) .
C5 C6 O1 Co2 110.5(3) .
C7 C6 O1 Co2 -124.3(3) .
C19 C18 O2 Co1 147.5(3) .
C17 C18 O2 Co1 22.6(4) .
C19 C18 O2 Co2 -118.3(3) .
C17 C18 O2 Co2 116.8(3) .
C31 C30 O3 Co1 145.6(3) .
C29 C30 O3 Co1 23.1(4) .
C31 C30 O3 Co2 -124.4(3) .
C29 C30 O3 Co2 113.1(3) .
O11 C37 O4 Co4 -29.6(6) .
C38 C37 O4 Co4 149.1(4) .
O11 C37 O4 Co3 162.0(3) .
C38 C37 O4 Co3 -19.4(7) .
O12 C39 O5 Co4 14.8(6) .
C40 C39 O5 Co4 -164.3(4) .
O12 C39 O5 Co3 177.5(3) .
C40 C39 O5 Co3 -1.6(7) .
O7 C41 O6 Co3 0.5(7) .
C42 C41 O6 Co3 -179.3(4) .
O6 C41 O7 Co4 8.2(7) .
C42 C41 O7 Co4 -172.1(4) .
O13 C43 O8 Co4 -22.8(6) .
C44 C43 O8 Co4 157.0(4) .
C30 O3 Co1 O1 153.8(3) .
Co2 O3 Co1 O1 44.37(10) .
C30 O3 Co1 O2 67.3(3) .
Co2 O3 Co1 O2 -42.07(11) .
C30 O3 Co1 N1 -120.2(3) .
Co2 O3 Co1 N1 130.41(14) .
C30 O3 Co1 N2 76.0(14) .
Co2 O3 Co1 N2 -33.4(13) .
C30 O3 Co1 N3 -21.4(3) .
Co2 O3 Co1 N3 -130.76(13) .
C30 O3 Co1 Co2 109.4(3) .
C6 O1 Co1 O3 68.7(3) .
Co2 O1 Co1 O3 -45.57(11) .
C6 O1 Co1 O2 156.9(3) .
Co2 O1 Co1 O2 42.60(11) .
C6 O1 Co1 N1 -18.8(3) .
Co2 O1 Co1 N1 -133.09(13) .
C6 O1 Co1 N2 -117.8(3) .
Co2 O1 Co1 N2 127.95(13) .
C6 O1 Co1 N3 97.4(8) .
Co2 O1 Co1 N3 -16.9(8) .
C6 O1 Co1 Co2 114.3(3) .
C18 O2 Co1 O3 161.0(3) .
Co2 O2 Co1 O3 44.28(12) .
C18 O2 Co1 O1 73.0(3) .
Co2 O2 Co1 O1 -43.68(11) .
C18 O2 Co1 N1 102.3(10) .
Co2 O2 Co1 N1 -14.4(10) .
C18 O2 Co1 N2 -18.0(3) .
Co2 O2 Co1 N2 -134.72(14) .
C18 O2 Co1 N3 -115.7(3) .
Co2 O2 Co1 N3 127.61(13) .
C18 O2 Co1 Co2 116.7(3) .
C1 N1 Co1 O3 95.7(4) .
C5 N1 Co1 O3 -73.9(3) .
C1 N1 Co1 O1 -176.2(4) .
C5 N1 Co1 O1 14.1(3) .
C1 N1 Co1 O2 154.4(8) .
C5 N1 Co1 O2 -15.2(11) .
C1 N1 Co1 N2 -86.1(4) .
C5 N1 Co1 N2 104.2(3) .
C1 N1 Co1 N3 12.9(4) .
C5 N1 Co1 N3 -156.7(3) .
C1 N1 Co1 Co2 141.5(4) .
C5 N1 Co1 Co2 -28.2(4) .
C13 N2 Co1 O3 177.4(11) .
C17 N2 Co1 O3 0.0(15) .
C13 N2 Co1 O1 99.8(4) .
C17 N2 Co1 O1 -77.7(3) .
C13 N2 Co1 O2 -173.9(4) .
C17 N2 Co1 O2 8.6(3) .
C13 N2 Co1 N1 13.8(4) .
C17 N2 Co1 N1 -163.7(3) .
C13 N2 Co1 N3 -86.1(4) .
C17 N2 Co1 N3 96.5(3) .
C13 N2 Co1 Co2 146.3(4) .
C17 N2 Co1 Co2 -31.2(3) .
C29 N3 Co1 O3 13.0(3) .
C25 N3 Co1 O3 -175.1(4) .
C29 N3 Co1 O1 -15.9(10) .
C25 N3 Co1 O1 156.0(7) .
C29 N3 Co1 O2 -75.2(3) .
C25 N3 Co1 O2 96.7(4) .
C29 N3 Co1 N1 99.3(3) .
C25 N3 Co1 N1 -88.8(4) .
C29 N3 Co1 N2 -160.4(3) .
C25 N3 Co1 N2 11.5(4) .
C29 N3 Co1 Co2 -31.0(3) .
C25 N3 Co1 Co2 140.9(4) .
C18 O2 Co2 O2 27(55) 2_766
Co1 O2 Co2 O2 140(55) 2_766
C18 O2 Co2 O1 -73.4(3) .
Co1 O2 Co2 O1 39.24(11) .
C18 O2 Co2 O1 106.5(3) 2_766
Co1 O2 Co2 O1 -140.76(11) 2_766
C18 O2 Co2 O3 -151.2(3) .
Co1 O2 Co2 O3 -38.46(10) .
C18 O2 Co2 O3 28.9(3) 2_766
Co1 O2 Co2 O3 141.54(10) 2_766
C18 O2 Co2 Co1 -112.7(3) .
C18 O2 Co2 Co1 67.3(3) 2_766
Co1 O2 Co2 Co1 180.0 2_766
C6 O1 Co2 O2 -150.0(3) .
Co1 O1 Co2 O2 -39.42(11) .
C6 O1 Co2 O2 30.0(3) 2_766
Co1 O1 Co2 O2 140.58(11) 2_766
C6 O1 Co2 O1 76(20) 2_766
Co1 O1 Co2 O1 -173(20) 2_766
C6 O1 Co2 O3 -70.9(3) .
Co1 O1 Co2 O3 39.74(10) .
C6 O1 Co2 O3 109.1(3) 2_766
Co1 O1 Co2 O3 -140.26(10) 2_766
C6 O1 Co2 Co1 -110.6(3) .
C6 O1 Co2 Co1 69.4(3) 2_766
Co1 O1 Co2 Co1 179.999(2) 2_766
C30 O3 Co2 O2 -75.9(2) .
Co1 O3 Co2 O2 39.01(10) .
C30 O3 Co2 O2 104.1(2) 2_766
Co1 O3 Co2 O2 -140.99(10) 2_766
C30 O3 Co2 O1 -155.0(3) .
Co1 O3 Co2 O1 -40.15(10) .
C30 O3 Co2 O1 25.0(3) 2_766
Co1 O3 Co2 O1 139.86(10) 2_766
C30 O3 Co2 O3 -18(5) 2_766
Co1 O3 Co2 O3 97(5) 2_766
C30 O3 Co2 Co1 -114.9(3) .
C30 O3 Co2 Co1 65.1(3) 2_766
Co1 O3 Co2 Co1 180.001(2) 2_766
O3 Co1 Co2 O2 -121.03(16) .
O1 Co1 Co2 O2 120.18(16) .
N1 Co1 Co2 O2 177.49(18) .
N2 Co1 Co2 O2 54.77(18) .
N3 Co1 Co2 O2 -63.11(17) .
O3 Co1 Co2 O2 58.97(16) 2_766
O1 Co1 Co2 O2 -59.82(16) 2_766
O2 Co1 Co2 O2 180.000(1) 2_766
N1 Co1 Co2 O2 -2.51(18) 2_766
N2 Co1 Co2 O2 -125.23(18) 2_766
N3 Co1 Co2 O2 116.89(17) 2_766
O3 Co1 Co2 O1 118.79(15) .
O2 Co1 Co2 O1 -120.18(16) .
N1 Co1 Co2 O1 57.30(17) .
N2 Co1 Co2 O1 -65.42(17) .
N3 Co1 Co2 O1 176.70(17) .
O3 Co1 Co2 O1 -61.21(15) 2_766
O1 Co1 Co2 O1 180.000(2) 2_766
O2 Co1 Co2 O1 59.82(16) 2_766
N1 Co1 Co2 O1 -122.70(17) 2_766
N2 Co1 Co2 O1 114.58(17) 2_766
N3 Co1 Co2 O1 -3.30(17) 2_766
O1 Co1 Co2 O3 -118.79(15) .
O2 Co1 Co2 O3 121.03(16) .
N1 Co1 Co2 O3 -61.49(17) .
N2 Co1 Co2 O3 175.79(17) .
N3 Co1 Co2 O3 57.91(16) .
O3 Co1 Co2 O3 180.002(2) 2_766
O1 Co1 Co2 O3 61.21(15) 2_766
O2 Co1 Co2 O3 -58.97(16) 2_766
N1 Co1 Co2 O3 118.51(17) 2_766
N2 Co1 Co2 O3 -4.21(17) 2_766
N3 Co1 Co2 O3 -122.09(16) 2_766
O3 Co1 Co2 Co1 27(12) 2_766
O1 Co1 Co2 Co1 -92(12) 2_766
O2 Co1 Co2 Co1 148(12) 2_766
N1 Co1 Co2 Co1 -35(12) 2_766
N2 Co1 Co2 Co1 -157(12) 2_766
N3 Co1 Co2 Co1 85(12) 2_766
C41 O6 Co3 O6 -22(23) 2_777
C41 O6 Co3 O4 -42.6(4) .
C41 O6 Co3 O4 137.4(4) 2_777
C41 O6 Co3 O5 34.3(4) .
C41 O6 Co3 O5 -145.7(4) 2_777
C37 O4 Co3 O6 58.8(4) 2_777
Co4 O4 Co3 O6 -111.34(13) 2_777
C37 O4 Co3 O6 -121.2(4) .
Co4 O4 Co3 O6 68.66(13) .
C37 O4 Co3 O4 178(14) 2_777
Co4 O4 Co3 O4 8(14) 2_777
C37 O4 Co3 O5 147.0(4) .
Co4 O4 Co3 O5 -23.14(11) .
C37 O4 Co3 O5 -33.0(4) 2_777
Co4 O4 Co3 O5 156.86(11) 2_777
C39 O5 Co3 O6 -52.1(4) 2_777
Co4 O5 Co3 O6 113.77(12) 2_777
C39 O5 Co3 O6 127.9(4) .
Co4 O5 Co3 O6 -66.23(12) .
C39 O5 Co3 O4 -143.6(4) .
Co4 O5 Co3 O4 22.34(11) .
C39 O5 Co3 O4 36.5(4) 2_777
Co4 O5 Co3 O4 -157.66(11) 2_777
C39 O5 Co3 O5 -132(61) 2_777
Co4 O5 Co3 O5 34(61) 2_777
C41 O7 Co4 O10 -139.9(4) .
C41 O7 Co4 O4 29.0(4) .
C41 O7 Co4 O8 150.4(16) .
C41 O7 Co4 O9 123.7(4) .
C41 O7 Co4 O5 -48.7(4) .
C37 O4 Co4 O7 122.4(3) .
Co3 O4 Co4 O7 -65.64(13) .
C37 O4 Co4 O10 -128.7(6) .
Co3 O4 Co4 O10 43.3(6) .
C37 O4 Co4 O8 -54.1(3) .
Co3 O4 Co4 O8 117.88(13) .
C37 O4 Co4 O9 33.4(3) .
Co3 O4 Co4 O9 -154.68(13) .
C37 O4 Co4 O5 -148.6(3) .
Co3 O4 Co4 O5 23.35(11) .
C43 O8 Co4 O7 7.8(19) .
C43 O8 Co4 O10 -62.0(4) .
C43 O8 Co4 O4 129.3(4) .
C43 O8 Co4 O9 34.5(4) .
C43 O8 Co4 O5 -153.0(4) .
C39 O5 Co4 O7 -121.5(3) .
Co3 O5 Co4 O7 70.33(12) .
C39 O5 Co4 O10 -30.2(3) .
Co3 O5 Co4 O10 161.58(13) .
C39 O5 Co4 O4 145.8(3) .
Co3 O5 Co4 O4 -22.40(11) .
C39 O5 Co4 O8 57.2(3) .
Co3 O5 Co4 O8 -111.02(12) .
C39 O5 Co4 O9 160.5(8) .
Co3 O5 Co4 O9 -7.6(10) .
