# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1581496'
_audit_update_record             
;
2017-10-23 deposited with the CCDC.
2018-02-07 downloaded from the CCDC.
;
_audit_creation_date             2017-10-19
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C28 H20 Co2 N O10, C6 H6 N'
_chemical_formula_sum            'C34 H26 Co2 N2 O10'
_chemical_formula_weight         740.43
_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 0.0033 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'
Co Co 0.3494 0.9721 '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'

_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.
;
_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_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.7054(17)
_cell_length_b                   13.182(3)
_cell_length_c                   15.288(3)
_cell_angle_alpha                108.13(3)
_cell_angle_beta                 98.65(3)
_cell_angle_gamma                93.30(3)
_cell_volume                     1638.2(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4255
_cell_measurement_temperature    293.1500
_cell_measurement_theta_max      27.8844
_cell_measurement_theta_min      1.6355
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.073
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8582
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Crystalclear
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_av_unetI/netI     0.0849
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19758
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.909
_diffrn_reflns_theta_min         1.787
_diffrn_ambient_temperature      293.1500
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_details      
;
scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 15.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 0.0000
	             XTD: 45.2072
	          2theta: -19.8998
scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 15.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 90.0000
	             XTD: 45.2072
	          2theta: -19.8998
scan:
	Number of images: 314
	           Slice: -110.0000 - 47.0000
	     Image width: 0.5000
	        Exp time: 15.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 180.0000
	             XTD: 45.2072
	          2theta: -19.8998
;
_diffrn_measurement_device       
;
Saturn724 (4x4 bin mode)
;
_diffrn_measurement_device_details 
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       dtprofit.ref
_diffrn_number_total             7724
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.1142
_diffrn_orient_matrix_UB_12      0.0249
_diffrn_orient_matrix_UB_13      0.0035
_diffrn_orient_matrix_UB_21      0.0019
_diffrn_orient_matrix_UB_22      0.0225
_diffrn_orient_matrix_UB_23      0.0771
_diffrn_orient_matrix_UB_31      0.0232
_diffrn_orient_matrix_UB_32      -0.0535
_diffrn_orient_matrix_UB_33      0.0387
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Sealed Tube'
_diffrn_source_current           40.0000
_diffrn_source_power             2.0000
_diffrn_source_voltage           50.0000
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5623
_reflns_number_total             7720
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    
;
????
;
_refine_diff_density_max         0.510
_refine_diff_density_min         -0.497
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         7720
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0919
_refine_ls_R_factor_gt           0.0614
_refine_ls_restrained_S_all      1.093
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0416P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1074
_refine_ls_wR_factor_ref         0.1209
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Riding coordinates:
 O9(H9A,H9B), O10(H10A,H10B)
2.b Secondary CH2 refined with riding coordinates:
 C28(H28A,H28B), C29(H29A,H29B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C10(H10), C11(H11), C13(H13), C14(H14), C17(H17), C18(H18),
 C20(H20), C21(H21), C23(H23), C24(H24), C26(H26), C27(H27), C31(H31), C32(H32),
  C33(H33), C34(H34)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.35939(5) 0.04128(4) 0.74437(3) 0.02365(13) Uani 1 1 d . . . . .
Co2 Co -0.04067(5) 0.06907(4) 0.67214(3) 0.02385(13) Uani 1 1 d . . . . .
O1 O -0.2400(3) 0.1981(2) 0.47816(18) 0.0474(8) Uani 1 1 d . . . . .
O2 O -0.1145(3) 0.09935(19) 0.55280(16) 0.0316(6) Uani 1 1 d . . . . .
O3 O -0.2744(3) 0.06424(18) 0.68713(18) 0.0319(6) Uani 1 1 d . . . . .
O4 O -0.4777(3) 0.15116(18) 0.72637(18) 0.0301(6) Uani 1 1 d . . . . .
O5 O -0.0325(3) 0.82177(19) 1.20355(17) 0.0354(6) Uani 1 1 d . . . . .
O6 O -0.2905(3) 0.8228(2) 1.16996(18) 0.0378(7) Uani 1 1 d . . . . .
O7 O 0.2070(3) 0.92101(19) 0.75091(18) 0.0327(6) Uani 1 1 d . . . . .
O8 O -0.0375(3) 0.92498(18) 0.68265(19) 0.0347(6) Uani 1 1 d . . . . .
O9 O 0.1901(2) 0.05963(18) 0.62974(15) 0.0265(5) Uani 1 1 d . . . . .
H9A H 0.216795 0.117289 0.619652 0.040 Uiso 1 1 d R . . . .
H9B H 0.185405 0.006509 0.578762 0.040 Uiso 1 1 d R . . . .
O10 O 0.4679(3) -0.08348(19) 0.66207(18) 0.0363(6) Uani 1 1 d . . . . .
H10A H 0.413087 -0.118944 0.605564 0.054 Uiso 1 1 d R . . . .
H10B H 0.561537 -0.058114 0.653844 0.054 Uiso 1 1 d R . . . .
N1 N 0.5146(3) 0.0301(2) 0.8618(2) 0.0337(7) Uani 1 1 d . . . . .
C1 C -0.1886(4) 0.2695(3) 0.6418(2) 0.0235(7) Uani 1 1 d . . . . .
C2 C -0.2609(4) 0.2541(2) 0.7125(2) 0.0196(7) Uani 1 1 d . . . . .
C3 C -0.2636(4) 0.3411(3) 0.7914(2) 0.0233(7) Uani 1 1 d . . . . .
H3 H -0.313981 0.330712 0.837949 0.028 Uiso 1 1 calc R . . . .
C4 C -0.1939(4) 0.4435(3) 0.8037(2) 0.0240(7) Uani 1 1 d . . . . .
C5 C -0.1274(4) 0.4600(3) 0.7303(2) 0.0249(8) Uani 1 1 d . . . . .
C6 C -0.1270(4) 0.3733(3) 0.6512(2) 0.0268(8) Uani 1 1 d . . . . .
H6 H -0.083994 0.384471 0.602377 0.032 Uiso 1 1 calc R . . . .
C7 C -0.1833(4) 0.1825(3) 0.5506(2) 0.0259(8) Uani 1 1 d . . . . .
C8 C -0.3433(4) 0.1476(3) 0.7076(2) 0.0236(7) Uani 1 1 d . . . . .
C9 C -0.1881(4) 0.5311(3) 0.8937(2) 0.0253(8) Uani 1 1 d . . . . .
C10 C -0.3190(4) 0.5545(3) 0.9327(3) 0.0371(10) Uani 1 1 d . . . . .
H10 H -0.414218 0.514230 0.902158 0.045 Uiso 1 1 calc R . . . .
C11 C -0.3131(4) 0.6372(3) 1.0170(3) 0.0387(10) Uani 1 1 d . . . . .
H11 H -0.404251 0.652739 1.041023 0.046 Uiso 1 1 calc R . . . .
C12 C -0.1716(4) 0.6959(3) 1.0650(2) 0.0254(8) Uani 1 1 d . . . . .
C13 C -0.0382(4) 0.6698(3) 1.0279(2) 0.0287(8) Uani 1 1 d . . . . .
H13 H 0.058206 0.706827 1.060349 0.034 Uiso 1 1 calc R . . . .
C14 C -0.0459(4) 0.5893(3) 0.9432(2) 0.0299(8) Uani 1 1 d . . . . .
H14 H 0.045049 0.573923 0.919038 0.036 Uiso 1 1 calc R . . . .
C15 C -0.1651(4) 0.7869(3) 1.1536(2) 0.0266(8) Uani 1 1 d . . . . .
C16 C -0.0713(4) 0.5700(3) 0.7308(2) 0.0257(8) Uani 1 1 d . . . . .
C17 C -0.1697(4) 0.6506(3) 0.7472(3) 0.0302(8) Uani 1 1 d . . . . .
H17 H -0.266810 0.637750 0.762481 0.036 Uiso 1 1 calc R . . . .
C18 C -0.1239(4) 0.7501(3) 0.7409(3) 0.0322(9) Uani 1 1 d . . . . .
H18 H -0.192688 0.802360 0.749219 0.039 Uiso 1 1 calc R . . . .
C19 C 0.0214(4) 0.7729(3) 0.7225(2) 0.0265(8) Uani 1 1 d . . . . .
C20 C 0.1214(4) 0.6934(3) 0.7089(3) 0.0377(10) Uani 1 1 d . . . . .
H20 H 0.221322 0.708055 0.698060 0.045 Uiso 1 1 calc R . . . .
C21 C 0.0739(4) 0.5920(3) 0.7113(3) 0.0391(10) Uani 1 1 d . . . . .
H21 H 0.140699 0.538673 0.699708 0.047 Uiso 1 1 calc R . . . .
C22 C 0.0696(4) 0.8817(3) 0.7186(2) 0.0258(8) Uani 1 1 d . . . . .
C23 C 0.5493(4) -0.0642(3) 0.8678(3) 0.0409(10) Uani 1 1 d . . . . .
H23 H 0.482255 -0.125139 0.831425 0.049 Uiso 1 1 calc R . . . .
C24 C 0.6803(5) -0.0769(4) 0.9256(3) 0.0468(11) Uani 1 1 d . . . . .
H24 H 0.699372 -0.144823 0.927889 0.056 Uiso 1 1 calc R . . . .
C25 C 0.7816(4) 0.0115(4) 0.9794(3) 0.0423(10) Uani 1 1 d . . . . .
C26 C 0.7391(5) 0.1108(4) 0.9788(3) 0.0490(11) Uani 1 1 d . . . . .
H26 H 0.799457 0.173279 1.018397 0.059 Uiso 1 1 calc R . . . .
C27 C 0.6076(5) 0.1166(3) 0.9197(3) 0.0408(10) Uani 1 1 d . . . . .
H27 H 0.581727 0.184094 0.919778 0.049 Uiso 1 1 calc R . . . .
C28 C 0.9381(4) 0.0027(4) 1.0309(3) 0.0531(12) Uani 1 1 d . . . . .
H28A H 0.932828 -0.061406 1.049203 0.064 Uiso 1 1 calc R . . . .
H28B H 0.966794 0.064385 1.087157 0.064 Uiso 1 1 calc R . . . .
N2 N 0.2559(4) 0.2487(3) 0.6031(3) 0.0465(9) Uani 1 1 d . . . . .
C29 C 0.4404(6) 0.5178(4) 0.5317(4) 0.0793(18) Uani 1 1 d . . . . .
H29A H 0.490286 0.575247 0.587637 0.095 Uiso 1 1 calc R . . . .
H29B H 0.356985 0.545899 0.499705 0.095 Uiso 1 1 calc R . . . .
C30 C 0.3710(6) 0.4266(4) 0.5596(4) 0.0636(14) Uani 1 1 d . . . . .
C31 C 0.4176(5) 0.4139(3) 0.6425(3) 0.0495(12) Uani 1 1 d . . . . .
H31 H 0.492237 0.464665 0.686954 0.059 Uiso 1 1 calc R . . . .
C32 C 0.3569(5) 0.3265(3) 0.6636(3) 0.0477(11) Uani 1 1 d . . . . .
H32 H 0.388873 0.322514 0.723184 0.057 Uiso 1 1 calc R . . . .
C33 C 0.2058(7) 0.2636(5) 0.5234(4) 0.094(2) Uani 1 1 d . . . . .
H33 H 0.130232 0.212391 0.480279 0.112 Uiso 1 1 calc R . . . .
C34 C 0.2581(8) 0.3510(5) 0.4989(4) 0.104(3) Uani 1 1 d . . . . .
H34 H 0.216420 0.357716 0.441584 0.125 Uiso 1 1 calc R . . . .


_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 O4 2.077(2) 1_655 ?
Co1 O6 2.046(3) 2_567 ?
Co1 O7 2.045(2) 1_545 ?
Co1 O9 2.198(2) . ?
Co1 O10 2.105(3) . ?
Co1 N1 2.127(3) . ?
Co2 O2 2.008(2) . ?
Co2 O3 2.081(2) . ?
Co2 O5 1.979(3) 2_567 ?
Co2 O8 1.957(2) 1_545 ?
Co2 O9 2.201(2) . ?
O1 C7 1.226(4) . ?
O2 C7 1.285(4) . ?
O3 C8 1.258(4) . ?
O4 C8 1.246(4) . ?
O5 C15 1.258(4) . ?
O6 C15 1.243(4) . ?
O7 C22 1.238(4) . ?
O8 C22 1.265(4) . ?
O9 H9A 0.8479 . ?
O9 H9B 0.8643 . ?
O10 H10A 0.8897 . ?
O10 H10B 0.9043 . ?
N1 C23 1.324(4) . ?
N1 C27 1.338(5) . ?
C1 C2 1.389(4) . ?
C1 C6 1.397(4) . ?
C1 C7 1.514(5) . ?
C2 C3 1.387(4) . ?
C2 C8 1.515(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.392(4) . ?
C4 C5 1.406(5) . ?
C4 C9 1.487(4) . ?
C5 C6 1.383(5) . ?
C5 C16 1.500(4) . ?
C6 H6 0.9300 . ?
C9 C10 1.371(5) . ?
C9 C14 1.393(5) . ?
C10 H10 0.9300 . ?
C10 C11 1.398(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.386(5) . ?
C12 C13 1.383(5) . ?
C12 C15 1.495(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.385(5) . ?
C14 H14 0.9300 . ?
C16 C17 1.390(5) . ?
C16 C21 1.377(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.385(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.373(5) . ?
C19 C20 1.387(5) . ?
C19 C22 1.493(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.389(5) . ?
C21 H21 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.386(5) . ?
C24 H24 0.9300 . ?
C24 C25 1.371(6) . ?
C25 C26 1.383(6) . ?
C25 C28 1.498(5) . ?
C26 H26 0.9300 . ?
C26 C27 1.369(5) . ?
C27 H27 0.9300 . ?
C28 C28 1.527(8) 2_757 ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
N2 C32 1.320(5) . ?
N2 C33 1.309(6) . ?
C29 C29 1.521(10) 2_666 ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.518(6) . ?
C30 C31 1.336(6) . ?
C30 C34 1.363(7) . ?
C31 H31 0.9300 . ?
C31 C32 1.387(5) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C33 C34 1.390(7) . ?
C34 H34 0.9300 . ?

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
O4 Co1 O9 90.39(9) 1_655 . ?
O4 Co1 O10 88.78(10) 1_655 . ?
O4 Co1 N1 90.51(11) 1_655 . ?
O6 Co1 O4 82.62(10) 2_567 1_655 ?
O6 Co1 O9 87.54(10) 2_567 . ?
O6 Co1 O10 170.28(10) 2_567 . ?
O6 Co1 N1 88.85(12) 2_567 . ?
O7 Co1 O4 173.90(10) 1_545 1_655 ?
O7 Co1 O6 103.41(11) 1_545 2_567 ?
O7 Co1 O9 88.97(9) 1_545 . ?
O7 Co1 O10 85.28(10) 1_545 . ?
O7 Co1 N1 90.53(11) 1_545 . ?
O10 Co1 O9 97.07(9) . . ?
O10 Co1 N1 86.70(11) . . ?
N1 Co1 O9 176.14(11) . . ?
O2 Co2 O3 85.77(11) . . ?
O2 Co2 O9 86.25(10) . . ?
O3 Co2 O9 169.81(9) . . ?
O5 Co2 O2 125.80(10) 2_567 . ?
O5 Co2 O3 93.98(11) 2_567 . ?
O5 Co2 O9 95.82(10) 2_567 . ?
O8 Co2 O2 124.32(11) 1_545 . ?
O8 Co2 O3 89.06(10) 1_545 . ?
O8 Co2 O5 109.86(11) 1_545 2_567 ?
O8 Co2 O9 90.21(10) 1_545 . ?
C7 O2 Co2 122.7(2) . . ?
C8 O3 Co2 122.2(2) . . ?
C8 O4 Co1 134.4(2) . 1_455 ?
C15 O5 Co2 133.6(2) . 2_567 ?
C15 O6 Co1 137.2(2) . 2_567 ?
C22 O7 Co1 138.7(2) . 1_565 ?
C22 O8 Co2 131.1(2) . 1_565 ?
Co1 O9 Co2 108.40(10) . . ?
Co1 O9 H9A 109.6 . . ?
Co1 O9 H9B 111.4 . . ?
Co2 O9 H9A 108.8 . . ?
Co2 O9 H9B 110.0 . . ?
H9A O9 H9B 108.6 . . ?
Co1 O10 H10A 115.0 . . ?
Co1 O10 H10B 110.8 . . ?
H10A O10 H10B 107.1 . . ?
C23 N1 Co1 121.1(3) . . ?
C23 N1 C27 116.7(3) . . ?
C27 N1 Co1 120.4(3) . . ?
C2 C1 C6 118.6(3) . . ?
C2 C1 C7 124.3(3) . . ?
C6 C1 C7 116.9(3) . . ?
C1 C2 C8 123.9(3) . . ?
C3 C2 C1 119.0(3) . . ?
C3 C2 C8 117.0(3) . . ?
C2 C3 H3 118.7 . . ?
C2 C3 C4 122.6(3) . . ?
C4 C3 H3 118.7 . . ?
C3 C4 C5 118.3(3) . . ?
C3 C4 C9 119.9(3) . . ?
C5 C4 C9 121.8(3) . . ?
C4 C5 C16 122.2(3) . . ?
C6 C5 C4 118.8(3) . . ?
C6 C5 C16 118.7(3) . . ?
C1 C6 H6 118.8 . . ?
C5 C6 C1 122.5(3) . . ?
C5 C6 H6 118.8 . . ?
O1 C7 O2 123.7(3) . . ?
O1 C7 C1 117.3(3) . . ?
O2 C7 C1 119.0(3) . . ?
O3 C8 C2 119.9(3) . . ?
O4 C8 O3 125.0(3) . . ?
O4 C8 C2 115.2(3) . . ?
C10 C9 C4 121.9(3) . . ?
C10 C9 C14 117.8(3) . . ?
C14 C9 C4 120.3(3) . . ?
C9 C10 H10 119.1 . . ?
C9 C10 C11 121.7(3) . . ?
C11 C10 H10 119.1 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.0(3) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C15 120.4(3) . . ?
C13 C12 C11 118.5(3) . . ?
C13 C12 C15 121.1(3) . . ?
C12 C13 H13 119.5 . . ?
C12 C13 C14 120.9(3) . . ?
C14 C13 H13 119.5 . . ?
C9 C14 H14 119.5 . . ?
C13 C14 C9 121.0(3) . . ?
C13 C14 H14 119.5 . . ?
O5 C15 C12 116.8(3) . . ?
O6 C15 O5 126.1(3) . . ?
O6 C15 C12 117.1(3) . . ?
C17 C16 C5 119.7(3) . . ?
C21 C16 C5 121.4(3) . . ?
C21 C16 C17 118.8(3) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.3(3) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 121.1(3) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 C20 118.6(3) . . ?
C18 C19 C22 120.1(3) . . ?
C20 C19 C22 121.4(3) . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.7(3) . . ?
C21 C20 H20 119.7 . . ?
C16 C21 C20 120.5(3) . . ?
C16 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
O7 C22 O8 126.6(3) . . ?
O7 C22 C19 118.1(3) . . ?
O8 C22 C19 115.2(3) . . ?
N1 C23 H23 118.3 . . ?
N1 C23 C24 123.4(4) . . ?
C24 C23 H23 118.3 . . ?
C23 C24 H24 120.3 . . ?
C25 C24 C23 119.4(4) . . ?
C25 C24 H24 120.3 . . ?
C24 C25 C26 117.2(4) . . ?
C24 C25 C28 122.4(4) . . ?
C26 C25 C28 120.2(4) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 C25 119.6(4) . . ?
C27 C26 H26 120.2 . . ?
N1 C27 C26 123.3(4) . . ?
N1 C27 H27 118.3 . . ?
C26 C27 H27 118.3 . . ?
C25 C28 C28 110.3(4) . 2_757 ?
C25 C28 H28A 109.6 . . ?
C25 C28 H28B 109.6 . . ?
C28 C28 H28A 109.6 2_757 . ?
C28 C28 H28B 109.6 2_757 . ?
H28A C28 H28B 108.1 . . ?
C33 N2 C32 115.3(4) . . ?
C29 C29 H29A 109.1 2_666 . ?
C29 C29 H29B 109.1 2_666 . ?
H29A C29 H29B 107.9 . . ?
C30 C29 C29 112.3(5) . 2_666 ?
C30 C29 H29A 109.1 . . ?
C30 C29 H29B 109.1 . . ?
C31 C30 C29 123.0(5) . . ?
C31 C30 C34 116.3(5) . . ?
C34 C30 C29 120.8(5) . . ?
C30 C31 H31 119.4 . . ?
C30 C31 C32 121.2(4) . . ?
C32 C31 H31 119.4 . . ?
N2 C32 C31 123.1(4) . . ?
N2 C32 H32 118.4 . . ?
C31 C32 H32 118.4 . . ?
N2 C33 H33 117.8 . . ?
N2 C33 C34 124.3(5) . . ?
C34 C33 H33 117.8 . . ?
C30 C34 C33 119.5(5) . . ?
C30 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?

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 H9A N2 0.85 1.85 2.691(4) 173.7 .
O9 H9B O2 0.86 2.04 2.875(3) 162.6 2_556
O10 H10A O1 0.89 1.85 2.679(4) 155.1 2_556
O10 H10B O3 0.90 1.98 2.784(3) 147.7 1_655

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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 O4 C8 O3 5.7(6) 1_455 . . . ?
Co1 O4 C8 C2 -173.2(2) 1_455 . . . ?
Co1 O6 C15 O5 15.1(6) 2_567 . . . ?
Co1 O6 C15 C12 -163.0(3) 2_567 . . . ?
Co1 O7 C22 O8 -17.9(6) 1_565 . . . ?
Co1 O7 C22 C19 163.0(3) 1_565 . . . ?
Co1 N1 C23 C24 160.1(3) . . . . ?
Co1 N1 C27 C26 -160.4(3) . . . . ?
Co2 O2 C7 O1 -174.1(3) . . . . ?
Co2 O2 C7 C1 9.1(4) . . . . ?
Co2 O3 C8 O4 -172.7(3) . . . . ?
Co2 O3 C8 C2 6.2(4) . . . . ?
Co2 O5 C15 O6 6.5(6) 2_567 . . . ?
Co2 O5 C15 C12 -175.4(2) 2_567 . . . ?
Co2 O8 C22 O7 -5.8(6) 1_565 . . . ?
Co2 O8 C22 C19 173.4(2) 1_565 . . . ?
N1 C23 C24 C25 -0.5(7) . . . . ?
C1 C2 C3 C4 -1.3(5) . . . . ?
C1 C2 C8 O3 51.2(5) . . . . ?
C1 C2 C8 O4 -129.8(4) . . . . ?
C2 C1 C6 C5 3.7(5) . . . . ?
C2 C1 C7 O1 121.3(4) . . . . ?
C2 C1 C7 O2 -61.7(5) . . . . ?
C2 C3 C4 C5 4.3(5) . . . . ?
C2 C3 C4 C9 -174.4(3) . . . . ?
C3 C2 C8 O3 -131.0(3) . . . . ?
C3 C2 C8 O4 48.0(4) . . . . ?
C3 C4 C5 C6 -3.3(5) . . . . ?
C3 C4 C5 C16 170.6(3) . . . . ?
C3 C4 C9 C10 -51.2(5) . . . . ?
C3 C4 C9 C14 125.9(4) . . . . ?
C4 C5 C6 C1 -0.7(5) . . . . ?
C4 C5 C16 C17 -51.3(5) . . . . ?
C4 C5 C16 C21 131.5(4) . . . . ?
C4 C9 C10 C11 -179.8(3) . . . . ?
C4 C9 C14 C13 -178.7(3) . . . . ?
C5 C4 C9 C10 130.2(4) . . . . ?
C5 C4 C9 C14 -52.7(5) . . . . ?
C5 C16 C17 C18 -175.1(3) . . . . ?
C5 C16 C21 C20 177.7(3) . . . . ?
C6 C1 C2 C3 -2.7(5) . . . . ?
C6 C1 C2 C8 175.1(3) . . . . ?
C6 C1 C7 O1 -53.4(5) . . . . ?
C6 C1 C7 O2 123.5(3) . . . . ?
C6 C5 C16 C17 122.6(4) . . . . ?
C6 C5 C16 C21 -54.6(5) . . . . ?
C7 C1 C2 C3 -177.4(3) . . . . ?
C7 C1 C2 C8 0.4(5) . . . . ?
C7 C1 C6 C5 178.8(3) . . . . ?
C8 C2 C3 C4 -179.2(3) . . . . ?
C9 C4 C5 C6 175.4(3) . . . . ?
C9 C4 C5 C16 -10.7(5) . . . . ?
C9 C10 C11 C12 -1.9(6) . . . . ?
C10 C9 C14 C13 -1.5(5) . . . . ?
C10 C11 C12 C13 -0.7(6) . . . . ?
C10 C11 C12 C15 177.9(3) . . . . ?
C11 C12 C13 C14 2.2(5) . . . . ?
C11 C12 C15 O5 165.3(3) . . . . ?
C11 C12 C15 O6 -16.4(5) . . . . ?
C12 C13 C14 C9 -1.1(6) . . . . ?
C13 C12 C15 O5 -16.1(5) . . . . ?
C13 C12 C15 O6 162.2(3) . . . . ?
C14 C9 C10 C11 3.0(6) . . . . ?
C15 C12 C13 C14 -176.4(3) . . . . ?
C16 C5 C6 C1 -174.8(3) . . . . ?
C16 C17 C18 C19 -2.9(6) . . . . ?
C17 C16 C21 C20 0.5(6) . . . . ?
C17 C18 C19 C20 1.0(6) . . . . ?
C17 C18 C19 C22 -178.4(3) . . . . ?
C18 C19 C20 C21 1.7(6) . . . . ?
C18 C19 C22 O7 142.2(4) . . . . ?
C18 C19 C22 O8 -37.1(5) . . . . ?
C19 C20 C21 C16 -2.5(6) . . . . ?
C20 C19 C22 O7 -37.2(5) . . . . ?
C20 C19 C22 O8 143.6(4) . . . . ?
C21 C16 C17 C18 2.1(5) . . . . ?
C22 C19 C20 C21 -179.0(4) . . . . ?
C23 N1 C27 C26 4.3(6) . . . . ?
C23 C24 C25 C26 5.6(6) . . . . ?
C23 C24 C25 C28 -169.5(4) . . . . ?
C24 C25 C26 C27 -5.7(6) . . . . ?
C24 C25 C28 C28 89.5(6) . . . 2_757 ?
C25 C26 C27 N1 0.8(7) . . . . ?
C26 C25 C28 C28 -85.4(6) . . . 2_757 ?
C27 N1 C23 C24 -4.4(6) . . . . ?
C28 C25 C26 C27 169.5(4) . . . . ?
N2 C33 C34 C30 1.2(12) . . . . ?
C29 C29 C30 C31 100.7(7) 2_666 . . . ?
C29 C29 C30 C34 -77.8(9) 2_666 . . . ?
C29 C30 C31 C32 -176.7(5) . . . . ?
C29 C30 C34 C33 174.8(6) . . . . ?
C30 C31 C32 N2 3.0(8) . . . . ?
C31 C30 C34 C33 -3.8(10) . . . . ?
C32 N2 C33 C34 3.4(9) . . . . ?
C33 N2 C32 C31 -5.5(7) . . . . ?
C34 C30 C31 C32 1.8(8) . . . . ?

_shelx_SHELXL_version_number     2016/6
_olex2_submission_special_instructions 'No special instructions were received'
