# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_c090224c
_audit_creation_date             2014-03-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.02.11 svn.r2872 for OlexSys, GUI svn.r4781)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C34 H28 Co N4 O11'
_chemical_formula_sum            'C34 H28 Co N4 O11'
_chemical_formula_weight         727.53
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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'
Co Co 0.3490 0.9720 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 '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'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   8.3977(11)
_cell_length_b                   9.4360(12)
_cell_length_c                   20.338(3)
_cell_angle_alpha                89.990(3)
_cell_angle_beta                 79.663(3)
_cell_angle_gamma                88.438(3)
_cell_volume                     1584.8(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5522
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      3.05
_exptl_absorpt_coefficient_mu    0.613
_exptl_absorpt_correction_T_max  0.9700
_exptl_absorpt_correction_T_min  0.8873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.36.21
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             750
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_unetI/netI     0.0578
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9713
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.05
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku SCX-mini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4374
_reflns_number_total             5522
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.037
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     464
_refine_ls_number_reflns         5522
_refine_ls_number_restraints     26
_refine_ls_R_factor_all          0.0888
_refine_ls_R_factor_gt           0.0696
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0709P)²+3.7494P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1615
_refine_ls_wR_factor_ref         0.1730
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H7B-O7
 0.85 with sigma of 0.02
 O7-H7A
 0.85 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C31 \\sim C32 \\sim N3: within 1.7A with sigma of 0.001 and sigma for terminal
atoms of 0.002
C29 \\sim N4 \\sim C30: within 1.7A with sigma of 0.001 and sigma for terminal
atoms of 0.002
4.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C7(H7), C13(H13), C14(H14), C17(H17), C19(H19),
 C20(H20), C21(H21), C27(H27), C28(H28), C60(H60), C89(H89)
4.b Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,
 H32C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C1 C 0.4933(6) 0.8304(5) 1.1239(2) 0.0323(11) Uani 1 d . . 1 . . .
C2 C 0.3957(6) 0.8370(5) 1.1939(2) 0.0294(10) Uani 1 d . . 1 . . .
C3 C 0.2624(7) 0.9256(6) 1.2070(3) 0.0456(14) Uani 1 d . . 1 . . .
H3 H 0.2304 0.9770 1.1723 0.055 Uiso 1 calc . . 1 R . .
C4 C 0.1745(7) 0.9401(7) 1.2710(3) 0.0534(16) Uani 1 d . . 1 . . .
H4 H 0.0846 1.0015 1.2793 0.064 Uiso 1 calc . . 1 R . .
C5 C 0.2203(6) 0.8633(6) 1.3225(3) 0.0437(13) Uani 1 d . . 1 . . .
H5 H 0.1623 0.8733 1.3658 0.052 Uiso 1 calc . . 1 R . .
C6 C 0.3523(6) 0.7720(5) 1.3093(2) 0.0313(11) Uani 1 d . . 1 . . .
C7 C 0.4422(6) 0.7594(5) 1.2460(2) 0.0282(10) Uani 1 d . . 1 . . .
H7 H 0.5335 0.6995 1.2380 0.034 Uiso 1 calc . . 1 R . .
C8 C 0.4533(6) 0.7686(5) 1.4144(2) 0.0322(11) Uani 1 d . . 1 . . .
C9 C 0.4953(6) 0.6865(5) 1.4714(2) 0.0282(10) Uani 1 d . . 1 . . .
C10 C 0.4769(5) 0.5389(5) 1.4732(2) 0.0255(10) Uani 1 d . . 1 . . .
C11 C 0.4150(6) 0.4668(5) 1.4233(2) 0.0278(10) Uani 1 d . . 1 . . .
C12 C 0.3654(6) 0.5473(5) 1.3673(2) 0.0314(11) Uani 1 d . . 1 . . .
C13 C 0.3987(6) 0.3224(5) 1.4259(2) 0.0317(11) Uani 1 d . . 1 . . .
H13 H 0.3578 0.2758 1.3925 0.038 Uiso 1 calc . . 1 R . .
C14 C 0.5562(6) 0.7549(5) 1.5212(2) 0.0330(11) Uani 1 d . . 1 . . .
H14 H 0.5674 0.8527 1.5196 0.040 Uiso 1 calc . . 1 R . .
C15 C 0.0252(6) 0.8520(5) 0.8682(2) 0.0265(10) Uani 1 d . . 1 . . .
C16 C 0.1219(6) 0.8508(5) 0.7977(2) 0.0275(10) Uani 1 d . . 1 . . .
C17 C 0.0746(6) 0.7695(4) 0.7479(2) 0.0259(10) Uani 1 d . . 1 . . .
H17 H -0.0136 0.7107 0.7575 0.031 Uiso 1 calc . . 1 R . .
C18 C 0.1622(6) 0.7783(5) 0.6836(2) 0.0276(10) Uani 1 d . . 1 . . .
C19 C 0.2915(6) 0.8653(5) 0.6683(2) 0.0385(12) Uani 1 d . . 1 . . .
H19 H 0.3468 0.8718 0.6246 0.046 Uiso 1 calc . . 1 R . .
C20 C 0.3390(7) 0.9432(6) 0.7184(3) 0.0457(14) Uani 1 d . . 1 . . .
H20 H 0.4283 1.0007 0.7085 0.055 Uiso 1 calc . . 1 R . .
C21 C 0.2546(6) 0.9361(5) 0.7833(2) 0.0367(12) Uani 1 d . . 1 . . .
H21 H 0.2870 0.9886 0.8170 0.044 Uiso 1 calc . . 1 R . .
C22 C 0.1408(6) 0.5499(5) 0.6304(2) 0.0299(10) Uani 1 d . . 1 . . .
C23 C 0.0846(5) 0.4672(5) 0.5772(2) 0.0244(9) Uani 1 d . . 1 . . .
C24 C 0.0246(5) 0.5402(5) 0.5260(2) 0.0245(9) Uani 1 d . . 1 . . .
C25 C 0.0116(6) 0.6885(5) 0.5246(2) 0.0278(10) Uani 1 d . . 1 . . .
C26 C 0.0543(6) 0.7720(5) 0.5802(2) 0.0295(10) Uani 1 d . . 1 . . .
C27 C -0.0446(6) 0.7562(5) 0.4735(2) 0.0300(10) Uani 1 d . . 1 . . .
H27 H -0.0512 0.8547 0.4728 0.036 Uiso 1 calc . . 1 R . .
C28 C 0.0925(6) 0.3223(5) 0.5780(2) 0.0313(11) Uani 1 d . . 1 . . .
H28 H 0.1297 0.2754 0.6127 0.038 Uiso 1 calc . . 1 R . .
C29 C 0.5401(10) 0.6649(8) 0.8186(4) 0.0826(15) Uani 1 d . . 1 . . .
H29A H 0.6130 0.7396 0.8230 0.124 Uiso 1 calc . . 1 GR . .
H29B H 0.4959 0.6787 0.7786 0.124 Uiso 1 calc . . 1 GR . .
H29C H 0.5976 0.5752 0.8163 0.124 Uiso 1 calc . . 1 GR . .
C30 C 0.2859(10) 0.5658(8) 0.8782(4) 0.0825(15) Uani 1 d . . 1 . . .
H30A H 0.1970 0.5947 0.9125 0.124 Uiso 1 calc . . 1 GR . .
H30B H 0.3261 0.4738 0.8886 0.124 Uiso 1 calc . . 1 GR . .
H30C H 0.2499 0.5618 0.8360 0.124 Uiso 1 calc . . 1 GR . .
C31 C 0.1921(10) 0.5546(8) 1.0820(4) 0.0836(15) Uani 1 d . . 1 . . .
H31A H 0.1528 0.5332 1.0417 0.125 Uiso 1 calc . . 1 GR . .
H31B H 0.2036 0.4687 1.1062 0.125 Uiso 1 calc . . 1 GR . .
H31C H 0.2953 0.5984 1.0710 0.125 Uiso 1 calc . . 1 GR . .
C32 C 0.0311(10) 0.6162(8) 1.1924(4) 0.0790(15) Uani 1 d . . 1 . . .
H32A H -0.0408 0.6891 1.2147 0.119 Uiso 1 calc . . 1 GR . .
H32B H 0.1258 0.6085 1.2127 0.119 Uiso 1 calc . . 1 GR . .
H32C H -0.0230 0.5274 1.1963 0.119 Uiso 1 calc . . 1 GR . .
C60 C 0.0250(7) 0.7655(6) 1.0969(3) 0.0495(14) Uani 1 d . . 1 . . .
H60 H -0.0467 0.8245 1.1254 0.059 Uiso 1 calc . . 1 R . .
C89 C 0.3991(9) 0.7638(6) 0.9231(4) 0.0594(17) Uani 1 d . . 1 . . .
H89 H 0.3070 0.7610 0.9562 0.071 Uiso 1 calc . . 1 R . .
Co1 Co 0.0000 1.0000 1.0000 0.0241(2) Uani 1 d . . 2 S T P
Co2 Co 0.5000 1.0000 1.0000 0.0246(2) Uani 1 d . . 2 S T P
N1 N 0.1145(5) 0.6962(4) 0.63030(18) 0.0287(9) Uani 1 d . . 1 . . .
N2 N 0.3977(5) 0.6928(4) 1.36463(18) 0.0311(9) Uani 1 d . . 1 . . .
N3 N 0.0775(8) 0.6512(6) 1.1233(3) 0.0760(13) Uani 1 d . . 1 . . .
N4 N 0.4137(8) 0.6668(6) 0.8743(3) 0.0756(13) Uani 1 d . . 1 . . .
O1 O 0.0841(4) 0.9274(4) 0.90845(16) 0.0403(9) Uani 1 d . . 1 . . .
O2 O -0.1019(4) 0.7877(4) 0.88069(16) 0.0381(8) Uani 1 d . . 1 . . .
O3 O 0.6359(4) 0.7858(4) 1.11470(16) 0.0400(8) Uani 1 d . . 1 . . .
O4 O 0.4198(4) 0.8726(5) 1.07781(18) 0.0551(11) Uani 1 d . . 1 . . .
O5 O 0.4909(5) 0.8509(5) 0.9278(2) 0.0642(13) Uani 1 d . . 1 . . .
O6 O 0.0597(5) 0.8028(4) 1.03920(18) 0.0456(9) Uani 1 d . . 1 . . .
O7 O 0.2458(4) 1.0831(3) 1.00132(15) 0.0275(7) Uani 1 d . . 1 D . .
O8 O 0.2976(5) 0.4932(4) 1.32662(18) 0.0488(10) Uani 1 d . . 1 . . .
O9 O 0.4668(5) 0.8962(4) 1.41111(18) 0.0518(10) Uani 1 d . . 1 . . .
O10 O 0.2078(5) 0.4940(4) 0.67212(16) 0.0426(9) Uani 1 d . . 1 . . .
O11 O 0.0375(5) 0.8996(3) 0.58339(18) 0.0501(10) Uani 1 d . . 1 . . .
H7A H 0.217(7) 1.137(5) 1.035(2) 0.060 Uiso 1 d . . 1 DR . .
H7B H 0.273(7) 1.137(5) 0.968(2) 0.060 Uiso 1 d . . 1 DR . .


_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
C1 C2 1.510(7) . ?
C1 O3 1.241(6) . ?
C1 O4 1.269(6) . ?
C2 C3 1.366(7) . ?
C2 C7 1.395(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.381(8) . ?
C4 H4 0.9300 . ?
C4 C5 1.378(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.373(7) . ?
C6 C7 1.374(7) . ?
C6 N2 1.452(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.483(6) . ?
C8 N2 1.394(6) . ?
C8 O9 1.213(6) . ?
C9 C10 1.405(6) . ?
C9 C14 1.381(7) . ?
C10 C10 1.419(8) 2_668 ?
C10 C11 1.404(6) . ?
C11 C12 1.483(6) . ?
C11 C13 1.373(6) . ?
C12 N2 1.406(6) . ?
C12 O8 1.206(6) . ?
C13 H13 0.9300 . ?
C13 C14 1.402(6) 2_668 ?
C14 C13 1.402(6) 2_668 ?
C14 H14 0.9300 . ?
C15 C16 1.515(6) . ?
C15 O1 1.260(5) . ?
C15 O2 1.228(6) . ?
C16 C17 1.391(6) . ?
C16 C21 1.381(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.385(6) . ?
C18 C19 1.370(7) . ?
C18 N1 1.451(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.378(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.384(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.485(6) . ?
C22 N1 1.393(6) . ?
C22 O10 1.212(6) . ?
C23 C24 1.408(6) . ?
C23 C28 1.368(6) . ?
C24 C24 1.426(8) 2_566 ?
C24 C25 1.402(6) . ?
C25 C26 1.480(6) . ?
C25 C27 1.367(6) . ?
C26 N1 1.403(6) . ?
C26 O11 1.209(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.404(6) 2_566 ?
C28 C27 1.404(6) 2_566 ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C29 N4 1.406(10) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C30 N4 1.446(10) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C31 N3 1.457(10) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C32 N3 1.431(9) . ?
C60 H60 0.9300 . ?
C60 N3 1.305(8) . ?
C60 O6 1.212(6) . ?
C89 H89 0.9300 . ?
C89 N4 1.337(8) . ?
C89 O5 1.158(7) . ?
Co1 O1 1.984(3) . ?
Co1 O1 1.984(3) 2_577 ?
Co1 O6 2.108(3) . ?
Co1 O6 2.108(3) 2_577 ?
Co1 O7 2.233(3) 2_577 ?
Co1 O7 2.233(3) . ?
Co2 O4 2.016(3) . ?
Co2 O4 2.016(3) 2_677 ?
Co2 O5 2.046(4) . ?
Co2 O5 2.046(4) 2_677 ?
Co2 O7 2.250(3) . ?
Co2 O7 2.250(3) 2_677 ?
O7 H7A 0.84(2) . ?
O7 H7B 0.84(2) . ?

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
O3 C1 C2 119.7(4) . . ?
O3 C1 O4 124.5(5) . . ?
O4 C1 C2 115.8(5) . . ?
C3 C2 C1 119.1(4) . . ?
C3 C2 C7 119.2(5) . . ?
C7 C2 C1 121.7(4) . . ?
C2 C3 H3 119.5 . . ?
C2 C3 C4 120.9(5) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 119.9(5) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.3 . . ?
C6 C5 C4 119.3(5) . . ?
C6 C5 H5 120.3 . . ?
C5 C6 C7 121.0(4) . . ?
C5 C6 N2 118.1(4) . . ?
C7 C6 N2 120.9(4) . . ?
C2 C7 H7 120.2 . . ?
C6 C7 C2 119.6(4) . . ?
C6 C7 H7 120.2 . . ?
N2 C8 C9 117.1(4) . . ?
O9 C8 C9 121.6(4) . . ?
O9 C8 N2 121.3(4) . . ?
C10 C9 C8 119.5(4) . . ?
C14 C9 C8 119.8(4) . . ?
C14 C9 C10 120.6(4) . . ?
C9 C10 C10 118.9(5) . 2_668 ?
C11 C10 C9 121.8(4) . . ?
C11 C10 C10 119.4(5) . 2_668 ?
C10 C11 C12 119.8(4) . . ?
C13 C11 C10 120.8(4) . . ?
C13 C11 C12 119.5(4) . . ?
N2 C12 C11 116.5(4) . . ?
O8 C12 C11 122.6(4) . . ?
O8 C12 N2 120.9(4) . . ?
C11 C13 H13 120.0 . . ?
C11 C13 C14 120.1(4) . 2_668 ?
C14 C13 H13 120.0 2_668 . ?
C9 C14 C13 120.3(4) . 2_668 ?
C9 C14 H14 119.9 . . ?
C13 C14 H14 119.9 2_668 . ?
O1 C15 C16 113.9(4) . . ?
O2 C15 C16 119.9(4) . . ?
O2 C15 O1 126.2(4) . . ?
C17 C16 C15 120.7(4) . . ?
C21 C16 C15 118.7(4) . . ?
C21 C16 C17 120.5(4) . . ?
C16 C17 H17 120.8 . . ?
C18 C17 C16 118.3(4) . . ?
C18 C17 H17 120.8 . . ?
C17 C18 N1 119.6(4) . . ?
C19 C18 C17 121.6(4) . . ?
C19 C18 N1 118.7(4) . . ?
C18 C19 H19 120.3 . . ?
C18 C19 C20 119.5(5) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.3(5) . . ?
C21 C20 H20 119.9 . . ?
C16 C21 C20 119.7(4) . . ?
C16 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
N1 C22 C23 117.0(4) . . ?
O10 C22 C23 122.2(4) . . ?
O10 C22 N1 120.8(4) . . ?
C24 C23 C22 119.1(4) . . ?
C28 C23 C22 120.2(4) . . ?
C28 C23 C24 120.7(4) . . ?
C23 C24 C24 118.7(5) . 2_566 ?
C25 C24 C23 122.1(4) . . ?
C25 C24 C24 119.2(5) . 2_566 ?
C24 C25 C26 119.4(4) . . ?
C27 C25 C24 120.6(4) . . ?
C27 C25 C26 119.9(4) . . ?
N1 C26 C25 117.0(4) . . ?
O11 C26 C25 122.2(4) . . ?
O11 C26 N1 120.8(4) . . ?
C25 C27 H27 119.8 . . ?
C25 C27 C28 120.4(4) . 2_566 ?
C28 C27 H27 119.8 2_566 . ?
C23 C28 C27 120.4(4) . 2_566 ?
C23 C28 H28 119.8 . . ?
C27 C28 H28 119.8 2_566 . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N4 C29 H29A 109.5 . . ?
N4 C29 H29B 109.5 . . ?
N4 C29 H29C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N4 C30 H30A 109.5 . . ?
N4 C30 H30B 109.5 . . ?
N4 C30 H30C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N3 C31 H31A 109.5 . . ?
N3 C31 H31B 109.5 . . ?
N3 C31 H31C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N3 C32 H32A 109.5 . . ?
N3 C32 H32B 109.5 . . ?
N3 C32 H32C 109.5 . . ?
N3 C60 H60 116.5 . . ?
O6 C60 H60 116.5 . . ?
O6 C60 N3 126.9(7) . . ?
N4 C89 H89 117.1 . . ?
O5 C89 H89 117.1 . . ?
O5 C89 N4 125.7(8) . . ?
O1 Co1 O1 180.000(1) 2_577 . ?
O1 Co1 O6 89.54(15) . . ?
O1 Co1 O6 90.46(15) 2_577 . ?
O1 Co1 O6 89.54(15) 2_577 2_577 ?
O1 Co1 O6 90.46(15) . 2_577 ?
O1 Co1 O7 87.93(13) 2_577 2_577 ?
O1 Co1 O7 92.07(13) . 2_577 ?
O1 Co1 O7 87.93(13) . . ?
O1 Co1 O7 92.07(13) 2_577 . ?
O6 Co1 O6 180.000(1) 2_577 . ?
O6 Co1 O7 92.43(13) 2_577 2_577 ?
O6 Co1 O7 87.57(13) . 2_577 ?
O6 Co1 O7 92.43(13) . . ?
O6 Co1 O7 87.57(13) 2_577 . ?
O7 Co1 O7 180.000(1) . 2_577 ?
O4 Co2 O4 180.000(1) 2_677 . ?
O4 Co2 O5 84.5(2) 2_677 . ?
O4 Co2 O5 95.5(2) . . ?
O4 Co2 O5 95.5(2) 2_677 2_677 ?
O4 Co2 O5 84.5(2) . 2_677 ?
O4 Co2 O7 89.78(13) 2_677 . ?
O4 Co2 O7 90.22(13) . . ?
O4 Co2 O7 89.78(13) . 2_677 ?
O4 Co2 O7 90.22(13) 2_677 2_677 ?
O5 Co2 O5 180.000(2) 2_677 . ?
O5 Co2 O7 85.79(14) 2_677 . ?
O5 Co2 O7 94.21(14) . . ?
O5 Co2 O7 85.79(14) . 2_677 ?
O5 Co2 O7 94.21(14) 2_677 2_677 ?
O7 Co2 O7 180.000(1) 2_677 . ?
C22 N1 C18 117.9(4) . . ?
C22 N1 C26 124.9(4) . . ?
C26 N1 C18 117.1(3) . . ?
C8 N2 C6 117.8(4) . . ?
C8 N2 C12 124.9(4) . . ?
C12 N2 C6 116.9(4) . . ?
C32 N3 C31 117.1(6) . . ?
C60 N3 C31 119.7(6) . . ?
C60 N3 C32 123.1(7) . . ?
C29 N4 C30 119.6(6) . . ?
C89 N4 C29 123.2(7) . . ?
C89 N4 C30 117.1(7) . . ?
C15 O1 Co1 133.5(3) . . ?
C1 O4 Co2 128.6(3) . . ?
C89 O5 Co2 132.2(5) . . ?
C60 O6 Co1 126.5(4) . . ?
Co1 O7 Co2 139.02(15) . . ?
Co1 O7 H7A 96(4) . . ?
Co1 O7 H7B 110(4) . . ?
Co2 O7 H7A 110(4) . . ?
Co2 O7 H7B 94(4) . . ?
H7A O7 H7B 106(6) . . ?

_database_code_depnum_ccdc_archive 'CCDC 962744'
