# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1504070'
_audit_update_record             
;
2016-10-24 deposited with the CCDC.
2016-11-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H64 Co7 N34 O34'
_chemical_formula_weight         2121.88

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.7097(9)
_cell_length_b                   14.2144(15)
_cell_length_c                   15.7201(16)
_cell_angle_alpha                88.608(4)
_cell_angle_beta                 88.273(4)
_cell_angle_gamma                86.682(4)
_cell_volume                     1941.6(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2673
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      22.63

_exptl_crystal_description       cubic
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.815
_exptl_crystal_F_000             1075
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.32
_exptl_absorpt_coefficient_mu    1.570
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6771
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25217
_diffrn_reflns_av_unetI/netI     0.0952
_diffrn_reflns_av_R_equivalents  0.0800
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.296
_diffrn_reflns_theta_max         26.505
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             7883
_reflns_number_gt                5041
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0753P)²+9.3350P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7883
_refine_ls_number_parameters     622
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.1117
_refine_ls_R_factor_gt           0.0646
_refine_ls_wR_factor_ref         0.1832
_refine_ls_wR_factor_gt          0.1549
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.003
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.44483(11) 0.22827(6) 1.28653(6) 0.0223(2) Uani 1 1 d . . . . .
Co2 Co 0.28372(10) 0.05435(6) 1.37222(5) 0.0195(2) Uani 1 1 d . . . . .
Co3 Co 0.59729(10) 0.09743(6) 1.48137(5) 0.0188(2) Uani 1 1 d . . . . .
C1 C 0.3276(8) 0.0798(5) 1.1799(4) 0.0237(14) Uani 1 1 d . . . . .
C2 C 0.3589(9) -0.2053(5) 0.9981(4) 0.0300(16) Uani 1 1 d . . . . .
C3 C -0.3486(12) 0.5019(5) 0.2808(5) 0.050(2) Uani 1 1 d . . . . .
C4 C -0.4813(7) 0.6934(4) 0.5408(4) 0.0223(14) Uani 1 1 d . . . . .
C5 C -0.4041(8) 0.5980(4) 0.4110(4) 0.0244(15) Uani 1 1 d . . . . .
H5A H -0.4573 0.6424 0.3769 0.029 Uiso 1 1 calc R U . . .
C6 C -0.3997(7) 0.6116(4) 0.4975(4) 0.0214(14) Uani 1 1 d . . . . .
C7 C -0.3193(7) 0.5452(4) 0.5479(4) 0.0228(14) Uani 1 1 d . . . . .
H7A H -0.3185 0.5516 0.6066 0.027 Uiso 1 1 calc R U . . .
C8 C -0.2404(7) 0.4694(4) 0.5096(4) 0.0213(14) Uani 1 1 d . . . . .
C9 C -0.2445(7) 0.4549(4) 0.4237(4) 0.0225(14) Uani 1 1 d . . . . .
H9A H -0.1911 0.4033 0.3992 0.027 Uiso 1 1 calc R U . . .
C10 C -0.3311(8) 0.5197(4) 0.3741(4) 0.0252(15) Uani 1 1 d . . . . .
C11 C -0.0820(8) 0.4387(5) 0.6318(5) 0.0294(16) Uani 1 1 d . . . . .
H11A H -0.0777 0.5035 0.6365 0.035 Uiso 1 1 calc R U . . .
C12 C -0.0125(8) 0.3784(5) 0.6922(5) 0.0299(16) Uani 1 1 d . . . . .
H12A H 0.0385 0.4027 0.7372 0.036 Uiso 1 1 calc R U . . .
C13 C -0.0200(8) 0.2815(5) 0.6848(4) 0.0256(15) Uani 1 1 d . . . . .
C14 C -0.0928(7) 0.2474(4) 0.6155(4) 0.0237(14) Uani 1 1 d . . . . .
H14A H -0.0960 0.1828 0.6082 0.028 Uiso 1 1 calc R U . . .
C15 C -0.1598(8) 0.3095(4) 0.5578(4) 0.0239(14) Uani 1 1 d . . . . .
H15A H -0.2092 0.2865 0.5116 0.029 Uiso 1 1 calc R U . . .
C16 C 0.0454(7) 0.2188(4) 0.7516(4) 0.0206(13) Uani 1 1 d . . . . .
C17 C 0.1803(8) 0.2403(5) 0.7912(4) 0.0274(15) Uani 1 1 d . . . . .
H17A H 0.2311 0.2937 0.7741 0.033 Uiso 1 1 calc R U . . .
C18 C 0.2377(8) 0.1823(5) 0.8557(4) 0.0284(16) Uani 1 1 d . . . . .
H18A H 0.3277 0.1966 0.8818 0.034 Uiso 1 1 calc R U . . .
C19 C 0.0376(8) 0.0818(5) 0.8425(4) 0.0278(15) Uani 1 1 d . . . . .
H19A H -0.0108 0.0279 0.8606 0.033 Uiso 1 1 calc R U . . .
C20 C -0.0214(8) 0.1354(5) 0.7778(4) 0.0277(15) Uani 1 1 d . . . . .
H20A H -0.1072 0.1165 0.7504 0.033 Uiso 1 1 calc R U . . .
C21 C 0.2262(8) 0.0471(4) 0.9525(4) 0.0242(15) Uani 1 1 d . . . . .
C22 C 0.2535(8) 0.0924(4) 1.0267(4) 0.0249(15) Uani 1 1 d . . . . .
H22A H 0.2350 0.1572 1.0314 0.030 Uiso 1 1 calc R U . . .
C23 C 0.3100(8) 0.0367(4) 1.0941(4) 0.0233(14) Uani 1 1 d . . . . .
C24 C 0.3430(8) -0.0591(4) 1.0850(4) 0.0238(14) Uani 1 1 d . . . . .
H24A H 0.3822 -0.0950 1.1304 0.029 Uiso 1 1 calc R U . . .
C25 C 0.3177(8) -0.1022(5) 1.0080(4) 0.0258(15) Uani 1 1 d . . . . .
C26 C 0.2537(8) -0.0480(5) 0.9412(4) 0.0260(15) Uani 1 1 d . . . . .
H26A H 0.2303 -0.0755 0.8905 0.031 Uiso 1 1 calc R U . . .
N1 N 0.1651(6) 0.1053(4) 0.8813(3) 0.0236(12) Uani 1 1 d . . . . .
N2 N -0.1557(6) 0.4031(3) 0.5665(3) 0.0208(12) Uani 1 1 d . . . . .
N3 N 0.2373(7) 0.2010(4) 1.3538(4) 0.0325(14) Uani 1 1 d . . . . .
N4 N 0.1465(7) 0.2584(4) 1.3792(4) 0.0332(14) Uani 1 1 d . . . . .
N5 N 0.0618(9) 0.3172(5) 1.4029(7) 0.074(3) Uani 1 1 d . . . . .
N6 N 0.5290(6) 0.0982(4) 1.3515(3) 0.0213(12) Uani 1 1 d . . . . .
N7 N 0.6088(7) 0.0456(4) 1.3045(4) 0.0265(13) Uani 1 1 d . . . . .
N8 N 0.6812(9) -0.0016(5) 1.2612(5) 0.055(2) Uani 1 1 d . . . . .
N9 N 0.0504(7) 0.0332(4) 1.3978(4) 0.0370(15) Uani 1 1 d . . . . .
N10 N -0.0629(7) 0.0755(4) 1.4205(4) 0.0265(13) Uani 1 1 d . . . . .
N11 N -0.1749(7) 0.1200(4) 1.4422(4) 0.0318(14) Uani 1 1 d . . . . .
N12 N 0.3582(6) 0.0566(4) 1.5031(3) 0.0194(11) Uani 1 1 d . . . . .
N13 N 0.2831(7) 0.1096(4) 1.5510(4) 0.0278(13) Uani 1 1 d . . . . .
N14 N 0.2190(10) 0.1607(6) 1.5937(5) 0.065(2) Uani 1 1 d . . . . .
N15 N 0.6393(7) 0.0873(4) 1.6127(3) 0.0264(13) Uani 1 1 d . . . . .
N16 N 0.6045(7) 0.1432(4) 1.6663(4) 0.0264(13) Uani 1 1 d . . . . .
N17 N 0.5716(9) 0.1964(5) 1.7187(4) 0.0489(19) Uani 1 1 d . . . . .
O1 O 0.3907(6) 0.1569(3) 1.1805(3) 0.0305(11) Uani 1 1 d . . . . .
O2 O 0.2763(5) 0.0340(3) 1.2426(3) 0.0251(10) Uani 1 1 d . . . . .
O3 O 0.4582(7) -0.2413(3) 1.0468(3) 0.0451(15) Uani 1 1 d . . . . .
O4 O 0.2917(7) -0.2484(3) 0.9427(3) 0.0386(13) Uani 1 1 d . . . . .
O5 O -0.2552(7) 0.4476(5) 0.2432(4) 0.0642(19) Uani 1 1 d . . . . .
O6 O -0.4950(10) 0.5224(5) 0.2560(5) 0.0413(19) Uani 0.679(9) 1 d . . P A 1
O6' O -0.385(2) 0.5697(12) 0.2339(10) 0.0413(19) Uani 0.321(9) 1 d . . P A 2
O7 O -0.5252(5) 0.7635(3) 0.4960(3) 0.0268(11) Uani 1 1 d . . . . .
O8 O -0.5028(6) 0.6861(3) 0.6202(3) 0.0295(11) Uani 1 1 d . . . . .
O9 O 0.6623(6) 0.2488(4) 1.2295(3) 0.0353(12) Uani 1 1 d D . . . .
H9B H 0.652(10) 0.247(5) 1.1755(16) 0.053 Uiso 1 1 d D U . . .
H9C H 0.712(7) 0.3005(19) 1.235(5) 0.053 Uiso 1 1 d D U . . .
O10 O 0.3514(7) 0.3540(4) 1.2226(4) 0.0410(13) Uani 1 1 d D . . . .
H10B H 0.255(3) 0.360(5) 1.209(6) 0.061 Uiso 1 1 d D U . . .
H10C H 0.393(8) 0.407(3) 1.226(5) 0.061 Uiso 1 1 d D U . . .
Co4 Co 0.5000 0.5000 0.0000 0.0289(3) Uani 1 2 d S . P . .
O11 O 0.4103(8) 0.5773(4) 0.1038(4) 0.0534(16) Uani 1 1 d D . . . .
H11B H 0.455(11) 0.558(6) 0.151(4) 0.080 Uiso 1 1 d D U . . .
H11C H 0.413(12) 0.6387(16) 0.102(6) 0.080 Uiso 1 1 d D U . . .
O12 O 0.6815(8) 0.4390(4) 0.0698(4) 0.0537(17) Uani 1 1 d D . . . .
H12B H 0.656(7) 0.3796(12) 0.076(5) 0.081 Uiso 1 1 d D U . . .
H12C H 0.700(12) 0.452(6) 0.122(2) 0.081 Uiso 1 1 d D U . . .
O13 O 0.3728(8) 0.3826(4) 0.0389(4) 0.0517(15) Uani 1 1 d D . . . .
H13B H 0.416(10) 0.354(4) -0.004(2) 0.077 Uiso 1 1 d D U . . .
H13C H 0.388(10) 0.357(5) 0.0890(13) 0.077 Uiso 1 1 d D U . . .
O14 O -0.0696(17) 0.4356(11) 0.8951(9) 0.188(6) Uani 1 1 d . . . . .
O15 O -0.0324(9) 0.1526(6) 0.2180(6) 0.095(3) Uani 1 1 d . . . . .
O16 O 0.0286(16) 0.345(2) 1.1897(10) 0.086(8) Uani 0.66(5) 1 d D . P B 1
O17 O 0.013(4) 0.279(3) 0.036(2) 0.129(6) Uani 0.323(18) 1 d . . P C 1
O16' O 0.049(3) 0.412(4) 1.193(2) 0.088(14) Uani 0.34(5) 1 d . . P B 2
O17' O 0.0856(18) 0.3363(15) 0.0056(11) 0.129(6) Uani 0.677(18) 1 d . . P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O8 2.023(5) 2_567 ?
Co1 O1 2.053(5) . ?
Co1 O9 2.104(5) . ?
Co1 N3 2.117(6) . ?
Co1 O10 2.159(5) . ?
Co1 N6 2.190(5) . ?
Co2 O2 2.068(4) . ?
Co2 N15 2.095(5) 2_658 ?
Co2 N9 2.097(6) . ?
Co2 N3 2.115(6) . ?
Co2 N12 2.177(5) . ?
Co2 N6 2.272(6) . ?
Co3 O7 2.075(4) 2_567 ?
Co3 N11 2.100(6) 1_655 ?
Co3 N15 2.108(5) . ?
Co3 N6 2.142(5) . ?
Co3 N12 2.209(5) . ?
Co3 N12 2.210(5) 2_658 ?
C1 O2 1.254(8) . ?
C1 O1 1.256(8) . ?
C1 C23 1.510(9) . ?
C2 O3 1.251(8) . ?
C2 O4 1.255(8) . ?
C2 C25 1.500(9) . ?
C3 O6' 1.231(17) . ?
C3 O5 1.236(10) . ?
C3 O6 1.358(12) . ?
C3 C10 1.509(10) . ?
C4 O7 1.255(8) . ?
C4 O8 1.258(8) . ?
C4 C6 1.495(9) . ?
C5 C6 1.379(9) . ?
C5 C10 1.381(9) . ?
C6 C7 1.390(8) . ?
C7 C8 1.384(9) . ?
C8 C9 1.374(9) . ?
C8 N2 1.466(8) . ?
C9 C10 1.394(9) . ?
C11 N2 1.351(8) . ?
C11 C12 1.392(9) . ?
C12 C13 1.390(9) . ?
C13 C14 1.388(9) . ?
C13 C16 1.468(9) . ?
C14 C15 1.370(9) . ?
C15 N2 1.343(8) . ?
C16 C20 1.398(9) . ?
C16 C17 1.399(9) . ?
C17 C18 1.380(9) . ?
C18 N1 1.342(8) . ?
C19 N1 1.345(8) . ?
C19 C20 1.352(9) . ?
C21 C26 1.373(9) . ?
C21 C22 1.379(9) . ?
C21 N1 1.470(8) . ?
C22 C23 1.392(9) . ?
C23 C24 1.385(9) . ?
C24 C25 1.398(9) . ?
C25 C26 1.398(9) . ?
N3 N4 1.172(8) . ?
N4 N5 1.144(9) . ?
N6 N7 1.234(8) . ?
N7 N8 1.122(8) . ?
N9 N10 1.176(8) . ?
N10 N11 1.178(8) . ?
N11 Co3 2.100(6) 1_455 ?
N12 N13 1.227(8) . ?
N12 Co3 2.210(5) 2_658 ?
N13 N14 1.115(9) . ?
N15 N16 1.193(8) . ?
N15 Co2 2.095(5) 2_658 ?
N16 N17 1.150(8) . ?
O7 Co3 2.075(4) 2_567 ?
O8 Co1 2.023(5) 2_567 ?
Co4 O12 2.086(6) 2_665 ?
Co4 O12 2.086(6) . ?
Co4 O11 2.096(6) 2_665 ?
Co4 O11 2.096(6) . ?
Co4 O13 2.124(6) . ?
Co4 O13 2.124(6) 2_665 ?

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
O8 Co1 O1 172.04(19) 2_567 . ?
O8 Co1 O9 87.4(2) 2_567 . ?
O1 Co1 O9 88.5(2) . . ?
O8 Co1 N3 90.2(2) 2_567 . ?
O1 Co1 N3 94.4(2) . . ?
O9 Co1 N3 174.5(2) . . ?
O8 Co1 O10 86.5(2) 2_567 . ?
O1 Co1 O10 86.7(2) . . ?
O9 Co1 O10 90.3(2) . . ?
N3 Co1 O10 94.6(2) . . ?
O8 Co1 N6 94.81(19) 2_567 . ?
O1 Co1 N6 92.16(19) . . ?
O9 Co1 N6 92.1(2) . . ?
N3 Co1 N6 83.1(2) . . ?
O10 Co1 N6 177.3(2) . . ?
O2 Co2 N15 88.5(2) . 2_658 ?
O2 Co2 N9 95.7(2) . . ?
N15 Co2 N9 96.1(2) 2_658 . ?
O2 Co2 N3 90.8(2) . . ?
N15 Co2 N3 172.3(2) 2_658 . ?
N9 Co2 N3 91.6(2) . . ?
O2 Co2 N12 163.3(2) . . ?
N15 Co2 N12 80.8(2) 2_658 . ?
N9 Co2 N12 98.2(2) . . ?
N3 Co2 N12 98.0(2) . . ?
O2 Co2 N6 88.22(19) . . ?
N15 Co2 N6 91.2(2) 2_658 . ?
N9 Co2 N6 171.9(2) . . ?
N3 Co2 N6 81.2(2) . . ?
N12 Co2 N6 79.26(19) . . ?
O7 Co3 N11 98.1(2) 2_567 1_655 ?
O7 Co3 N15 85.68(19) 2_567 . ?
N11 Co3 N15 96.0(2) 1_655 . ?
O7 Co3 N6 96.02(19) 2_567 . ?
N11 Co3 N6 90.7(2) 1_655 . ?
N15 Co3 N6 172.7(2) . . ?
O7 Co3 N12 89.42(19) 2_567 . ?
N11 Co3 N12 169.7(2) 1_655 . ?
N15 Co3 N12 91.6(2) . . ?
N6 Co3 N12 81.4(2) . . ?
O7 Co3 N12 162.24(19) 2_567 2_658 ?
N11 Co3 N12 93.5(2) 1_655 2_658 ?
N15 Co3 N12 79.7(2) . 2_658 ?
N6 Co3 N12 97.26(19) . 2_658 ?
N12 Co3 N12 81.0(2) . 2_658 ?
O2 C1 O1 127.4(6) . . ?
O2 C1 C23 115.7(6) . . ?
O1 C1 C23 116.9(6) . . ?
O3 C2 O4 125.4(6) . . ?
O3 C2 C25 116.4(6) . . ?
O4 C2 C25 118.1(6) . . ?
O6' C3 O5 109.9(11) . . ?
O5 C3 O6 124.3(8) . . ?
O6' C3 C10 118.0(10) . . ?
O5 C3 C10 119.9(8) . . ?
O6 C3 C10 111.7(8) . . ?
O7 C4 O8 124.7(6) . . ?
O7 C4 C6 118.2(6) . . ?
O8 C4 C6 117.1(6) . . ?
C6 C5 C10 121.2(6) . . ?
C5 C6 C7 119.0(6) . . ?
C5 C6 C4 123.3(6) . . ?
C7 C6 C4 117.7(6) . . ?
C8 C7 C6 119.2(6) . . ?
C9 C8 C7 122.3(6) . . ?
C9 C8 N2 121.4(6) . . ?
C7 C8 N2 116.2(6) . . ?
C8 C9 C10 118.1(6) . . ?
C5 C10 C9 120.1(6) . . ?
C5 C10 C3 120.3(6) . . ?
C9 C10 C3 119.5(6) . . ?
N2 C11 C12 120.1(6) . . ?
C11 C12 C13 119.4(6) . . ?
C14 C13 C12 118.9(6) . . ?
C14 C13 C16 122.2(6) . . ?
C12 C13 C16 119.0(6) . . ?
C15 C14 C13 119.6(6) . . ?
N2 C15 C14 121.3(6) . . ?
C20 C16 C17 117.1(6) . . ?
C20 C16 C13 122.4(6) . . ?
C17 C16 C13 120.5(6) . . ?
C18 C17 C16 119.8(6) . . ?
N1 C18 C17 120.7(6) . . ?
N1 C19 C20 121.0(6) . . ?
C19 C20 C16 120.7(6) . . ?
C26 C21 C22 124.2(6) . . ?
C26 C21 N1 118.6(6) . . ?
C22 C21 N1 117.2(6) . . ?
C21 C22 C23 116.9(6) . . ?
C24 C23 C22 120.9(6) . . ?
C24 C23 C1 119.2(6) . . ?
C22 C23 C1 119.8(6) . . ?
C23 C24 C25 120.5(6) . . ?
C26 C25 C24 119.1(6) . . ?
C26 C25 C2 120.9(6) . . ?
C24 C25 C2 119.9(6) . . ?
C21 C26 C25 118.2(6) . . ?
C18 N1 C19 120.5(5) . . ?
C18 N1 C21 119.2(5) . . ?
C19 N1 C21 120.3(5) . . ?
C15 N2 C11 120.6(5) . . ?
C15 N2 C8 121.2(5) . . ?
C11 N2 C8 118.0(5) . . ?
N4 N3 Co2 136.8(5) . . ?
N4 N3 Co1 125.5(5) . . ?
Co2 N3 Co1 96.8(2) . . ?
N5 N4 N3 177.2(8) . . ?
N7 N6 Co3 115.1(4) . . ?
N7 N6 Co1 112.8(4) . . ?
Co3 N6 Co1 121.5(2) . . ?
N7 N6 Co2 113.8(4) . . ?
Co3 N6 Co2 99.2(2) . . ?
Co1 N6 Co2 90.37(19) . . ?
N8 N7 N6 179.4(7) . . ?
N10 N9 Co2 139.8(5) . . ?
N9 N10 N11 178.2(7) . . ?
N10 N11 Co3 138.6(5) . 1_455 ?
N13 N12 Co2 116.5(4) . . ?
N13 N12 Co3 112.9(4) . . ?
Co2 N12 Co3 100.1(2) . . ?
N13 N12 Co3 127.5(4) . 2_658 ?
Co2 N12 Co3 96.3(2) . 2_658 ?
Co3 N12 Co3 99.0(2) . 2_658 ?
N14 N13 N12 177.1(8) . . ?
N16 N15 Co2 128.6(4) . 2_658 ?
N16 N15 Co3 128.4(4) . . ?
Co2 N15 Co3 102.0(2) 2_658 . ?
N17 N16 N15 179.2(7) . . ?
C1 O1 Co1 126.2(4) . . ?
C1 O2 Co2 131.9(4) . . ?
C4 O7 Co3 135.7(4) . 2_567 ?
C4 O8 Co1 130.0(4) . 2_567 ?
O12 Co4 O12 180.0 2_665 . ?
O12 Co4 O11 92.8(2) 2_665 2_665 ?
O12 Co4 O11 87.2(2) . 2_665 ?
O12 Co4 O11 87.2(2) 2_665 . ?
O12 Co4 O11 92.8(2) . . ?
O11 Co4 O11 180.0 2_665 . ?
O12 Co4 O13 92.6(2) 2_665 . ?
O12 Co4 O13 87.4(2) . . ?
O11 Co4 O13 88.9(2) 2_665 . ?
O11 Co4 O13 91.1(2) . . ?
O12 Co4 O13 87.4(2) 2_665 2_665 ?
O12 Co4 O13 92.6(2) . 2_665 ?
O11 Co4 O13 91.1(2) 2_665 2_665 ?
O11 Co4 O13 88.9(2) . 2_665 ?
O13 Co4 O13 180.0(3) . 2_665 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O9 H9B O4 0.86(2) 1.91(4) 2.726(7) 159(8) 2_657
O9 H9C O5 0.883(18) 2.133(18) 2.970(9) 158(5) 1_656
O10 H10B O16 0.870(18) 2.026(17) 2.883(16) 168(7) .
O10 H10B O16' 0.870(18) 1.92(5) 2.76(3) 162(7) .
O10 H10C O6 0.864(16) 2.022(16) 2.876(9) 169(7) 1_656
O11 H11B O6 0.87(2) 1.78(3) 2.639(9) 167(10) 1_655
O11 H11B O6' 0.87(2) 1.96(5) 2.749(17) 151(9) 1_655
O11 H11C O3 0.87(2) 1.95(5) 2.760(8) 153(9) 1_564
O12 H12B O4 0.89(2) 1.92(2) 2.717(8) 148(5) 2_656
O12 H12C O5 0.87(2) 1.95(3) 2.804(8) 166(8) 1_655
O13 H13B O3 0.864(17) 2.001(19) 2.772(8) 148(4) 2_656
O13 H13C O10 0.868(19) 2.114(18) 2.908(8) 152(5) 1_554

_refine_diff_density_max         1.096
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.130

_shelxl_version_number           2014-3

