# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_reza84
_database_code_depnum_ccdc_archive 'CCDC 1886760'
loop_
_audit_author_name
_audit_author_address
'Alexandra Martha Zoya Slawin'
;University of St Andrews
United Kingdom
;
_audit_update_record             
;
2018-12-20 deposited with the CCDC.	2019-04-03 downloaded from the CCDC.
;
_audit_creation_date             2018-12-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H44 Co2 N8 O14, 3(C3 H7 N O)'
_chemical_formula_sum            'C73 H65 Co2 N11 O17'
_chemical_formula_weight         1486.22
_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                   9.8591(11)
_cell_length_b                   14.9188(15)
_cell_length_c                   15.0675(13)
_cell_angle_alpha                112.424(9)
_cell_angle_beta                 99.484(8)
_cell_angle_gamma                106.304(9)
_cell_volume                     1871.7(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4014
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.2470
_cell_measurement_theta_min      2.1930
_shelx_estimated_absorpt_T_max   0.970
_shelx_estimated_absorpt_T_min   0.904
_exptl_absorpt_coefficient_mu    0.517
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.94748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             770
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0722
_diffrn_reflns_av_unetI/netI     0.1427
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.908
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23590
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.908
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.858
_diffrn_reflns_theta_min         1.639
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.9977
_diffrn_measured_fraction_theta_max 0.9089
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -120.00  60.00   1.00  120.00    --  -29.54  54.00   0.00  180
  2  ω   -120.00  60.00   1.00  120.00    --  -29.54  54.00 120.00  180
  3  ω   -120.00  60.00   1.00  120.00    --  -29.54  54.00 240.00  180
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0627707000
_diffrn_orient_matrix_UB_12      -0.0134878000
_diffrn_orient_matrix_UB_13      -0.0050761000
_diffrn_orient_matrix_UB_21      0.0326680000
_diffrn_orient_matrix_UB_22      0.0271702000
_diffrn_orient_matrix_UB_23      0.0531321000
_diffrn_orient_matrix_UB_31      -0.0345476000
_diffrn_orient_matrix_UB_32      -0.0465087000
_diffrn_orient_matrix_UB_33      0.0036535000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6402
_reflns_number_total             11685
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.915
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         11685
_refine_ls_number_restraints     26
_refine_ls_R_factor_all          0.1750
_refine_ls_R_factor_gt           0.0906
_refine_ls_restrained_S_all      1.089
_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)+(0.0755P)²+3.6351P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2020
_refine_ls_wR_factor_ref         0.2382
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 H2-N2
 0.98 with sigma of 0.05
 N3-H3
 0.98 with sigma of 0.05
3. Rigid body (RIGU) restrains
 O9, N6, C36, C37, H37A, H37B, H37C, C38
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Fixed Sof: O9(0.5) N6(0.5) C36(0.5) H36(0.5) C37(0.5) H37A(0.5) H37B(0.5)
 H37C(0.5) C38(0.5) H38A(0.5) H38B(0.5) H38C(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2A), C4(H4), C5(H5), C8(H8), C9(H9), C11(H11), C12(H12), C15(H15),
  C16(H16), C17(H17), C18(H18), C21(H21), C22(H22), C24(H24), C25(H25),
 C27(H27), C28(H28), C30(H30), C31(H31), C36(H36), C33(H33)
5.b Idealised Me refined as rotating group:
 C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C34(H34A,H34B,H34C), C35(H35A,H35B,
 H35C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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 0.14258(6) 1.03782(4) 0.91659(4) 0.02119(16) Uani 1 1 d . . . . .
O1 O 0.3570(5) 0.5970(3) 0.7409(3) 0.0657(13) Uani 1 1 d . . . . .
O2 O 0.8022(4) 0.4090(3) 1.0625(3) 0.0458(9) Uani 1 1 d . . . . .
O3 O -0.0539(3) 0.9242(2) 0.8804(2) 0.0311(7) Uani 1 1 d . . . . .
O4 O -0.2520(3) 0.9062(2) 0.9335(2) 0.0269(6) Uani 1 1 d . . . . .
O5 O -0.5219(4) 0.8520(3) 0.4935(3) 0.0466(9) Uani 1 1 d . . . . .
O6 O -0.3378(3) 0.8627(2) 0.1079(2) 0.0281(7) Uani 1 1 d . . . . .
O7 O -0.1336(3) 0.9802(2) 0.2319(2) 0.0290(7) Uani 1 1 d . . . . .
N1 N 0.2304(4) 0.9144(3) 0.8856(3) 0.0255(8) Uani 1 1 d . . . . .
N2 N 0.5094(4) 0.6805(3) 0.9019(3) 0.0317(9) Uani 1 1 d D . . . .
H2 H 0.542(6) 0.738(3) 0.963(3) 0.043(15) Uiso 1 1 d D . . . .
N3 N 0.8023(4) 0.4082(3) 0.9109(3) 0.0293(8) Uani 1 1 d D . . . .
H3 H 0.837(7) 0.381(5) 0.856(4) 0.08(2) Uiso 1 1 d D . . . .
N4 N 1.0457(4) 0.1554(3) 0.9389(3) 0.0257(8) Uani 1 1 d . . . . .
C1 C 0.3214(6) 0.9113(4) 0.9579(4) 0.0477(14) Uani 1 1 d . . . . .
H1 H 0.3479 0.9640 1.0232 0.057 Uiso 1 1 calc R . . . .
C2 C 0.3801(6) 0.8348(4) 0.9431(4) 0.0491(14) Uani 1 1 d . . . . .
H2A H 0.4442 0.8375 0.9976 0.059 Uiso 1 1 calc R . . . .
C3 C 0.3449(5) 0.7559(3) 0.8496(4) 0.0303(10) Uani 1 1 d . . . . .
C4 C 0.2454(7) 0.7559(5) 0.7741(4) 0.0585(18) Uani 1 1 d . . . . .
H4 H 0.2134 0.7018 0.7089 0.070 Uiso 1 1 calc R . . . .
C5 C 0.1924(7) 0.8362(4) 0.7947(4) 0.0525(16) Uani 1 1 d . . . . .
H5 H 0.1269 0.8349 0.7418 0.063 Uiso 1 1 calc R . . . .
C6 C 0.4049(5) 0.6704(4) 0.8255(4) 0.0381(12) Uani 1 1 d . . . . .
C7 C 0.5787(5) 0.6084(3) 0.9008(4) 0.0294(10) Uani 1 1 d . . . . .
C8 C 0.6323(5) 0.6080(4) 0.9914(4) 0.0330(10) Uani 1 1 d . . . . .
H8 H 0.6194 0.6527 1.0495 0.040 Uiso 1 1 calc R . . . .
C9 C 0.7047(5) 0.5424(4) 0.9972(4) 0.0327(10) Uani 1 1 d . . . . .
H9 H 0.7392 0.5426 1.0586 0.039 Uiso 1 1 calc R . . . .
C10 C 0.7260(5) 0.4758(3) 0.9106(4) 0.0278(9) Uani 1 1 d . . . . .
C11 C 0.6733(5) 0.4773(4) 0.8203(4) 0.0359(11) Uani 1 1 d . . . . .
H11 H 0.6870 0.4334 0.7622 0.043 Uiso 1 1 calc R . . . .
C12 C 0.6003(5) 0.5434(4) 0.8149(4) 0.0348(11) Uani 1 1 d . . . . .
H12 H 0.5662 0.5439 0.7538 0.042 Uiso 1 1 calc R . . . .
C13 C 0.8324(5) 0.3773(3) 0.9828(4) 0.0296(10) Uani 1 1 d . . . . .
C14 C 0.9077(5) 0.2998(3) 0.9625(3) 0.0263(9) Uani 1 1 d . . . . .
C15 C 0.9961(5) 0.3014(3) 1.0449(3) 0.0289(9) Uani 1 1 d . . . . .
H15 H 1.0096 0.3501 1.1099 0.035 Uiso 1 1 calc R . . . .
C16 C 1.0638(5) 0.2301(3) 1.0299(3) 0.0283(9) Uani 1 1 d . . . . .
H16 H 1.1257 0.2339 1.0861 0.034 Uiso 1 1 calc R . . . .
C17 C 0.9582(5) 0.1535(4) 0.8598(4) 0.0322(10) Uani 1 1 d . . . . .
H17 H 0.9434 0.1021 0.7958 0.039 Uiso 1 1 calc R . . . .
C18 C 0.8880(5) 0.2237(4) 0.8674(4) 0.0341(11) Uani 1 1 d . . . . .
H18 H 0.8291 0.2198 0.8100 0.041 Uiso 1 1 calc R . . . .
C19 C -0.1909(5) 0.9081(3) 0.8673(3) 0.0238(8) Uani 1 1 d . . . . .
C20 C -0.2812(5) 0.8883(3) 0.7676(3) 0.0275(9) Uani 1 1 d . . . . .
C21 C -0.2315(5) 0.8546(4) 0.6844(4) 0.0391(12) Uani 1 1 d . . . . .
H21 H -0.1446 0.8413 0.6906 0.047 Uiso 1 1 calc R . . . .
C22 C -0.3114(6) 0.8406(5) 0.5919(4) 0.0453(13) Uani 1 1 d . . . . .
H22 H -0.2804 0.8150 0.5355 0.054 Uiso 1 1 calc R . . . .
C23 C -0.4366(5) 0.8647(4) 0.5838(4) 0.0369(11) Uani 1 1 d . . . . .
C24 C -0.4876(6) 0.8967(5) 0.6652(4) 0.0433(13) Uani 1 1 d . . . . .
H24 H -0.5734 0.9114 0.6590 0.052 Uiso 1 1 calc R . . . .
C25 C -0.4112(5) 0.9072(4) 0.7568(4) 0.0397(12) Uani 1 1 d . . . . .
H25 H -0.4475 0.9270 0.8114 0.048 Uiso 1 1 calc R . . . .
C26 C -0.4526(5) 0.8687(4) 0.4252(4) 0.0363(11) Uani 1 1 d . . . . .
C27 C -0.3150(6) 0.9459(5) 0.4542(4) 0.0472(14) Uani 1 1 d . . . . .
H27 H -0.2630 0.9890 0.5222 0.057 Uiso 1 1 calc R . . . .
C28 C -0.2547(6) 0.9584(4) 0.3802(4) 0.0410(12) Uani 1 1 d . . . . .
H28 H -0.1607 1.0090 0.3993 0.049 Uiso 1 1 calc R . . . .
C29 C -0.3332(5) 0.8963(3) 0.2779(3) 0.0268(9) Uani 1 1 d . . . . .
C30 C -0.4732(5) 0.8217(4) 0.2507(3) 0.0313(10) Uani 1 1 d . . . . .
H30 H -0.5276 0.7803 0.1829 0.038 Uiso 1 1 calc R . . . .
C31 C -0.5330(5) 0.8084(4) 0.3248(3) 0.0337(10) Uani 1 1 d . . . . .
H31 H -0.6274 0.7585 0.3061 0.040 Uiso 1 1 calc R . . . .
C32 C -0.2651(5) 0.9135(3) 0.2023(3) 0.0259(9) Uani 1 1 d . . . . .
O9 O 1.0798(12) 0.3328(8) 0.4503(7) 0.080(3) Uani 0.5 1 d . U P . .
N6 N 1.1925(16) 0.4839(9) 0.4462(8) 0.077(4) Uani 0.5 1 d . U P . .
C36 C 1.1478(19) 0.4212(13) 0.4846(11) 0.077(4) Uani 0.5 1 d . U P . .
H36 H 1.1767 0.4544 0.5547 0.093 Uiso 0.5 1 calc R . P . .
C37 C 1.270(2) 0.5910(12) 0.4896(11) 0.096(6) Uani 0.5 1 d . U P . .
H37A H 1.2794 0.6213 0.5602 0.143 Uiso 0.5 1 calc GR U P . .
H37B H 1.2181 0.6213 0.4574 0.143 Uiso 0.5 1 calc GR U P . .
H37C H 1.3674 0.6048 0.4815 0.143 Uiso 0.5 1 calc GR U P . .
C38 C 1.125(2) 0.4323(14) 0.3376(11) 0.126(8) Uani 0.5 1 d . U P . .
H38A H 1.0194 0.4123 0.3220 0.189 Uiso 0.5 1 calc GR . P . .
H38B H 1.1481 0.3711 0.3084 0.189 Uiso 0.5 1 calc GR . P . .
H38C H 1.1631 0.4794 0.3105 0.189 Uiso 0.5 1 calc GR . P . .
O8 O 0.8947(4) 0.3535(3) 0.7316(3) 0.0555(11) Uani 1 1 d . . . . .
N5 N 1.0765(5) 0.3086(4) 0.6756(4) 0.0599(14) Uani 1 1 d . . . . .
C33 C 1.0250(7) 0.3738(4) 0.7322(4) 0.0462(13) Uani 1 1 d . . . . .
H33 H 1.0926 0.4411 0.7766 0.055 Uiso 1 1 calc R . . . .
C34 C 0.9764(10) 0.2042(6) 0.5983(8) 0.130(5) Uani 1 1 d . . . . .
H34A H 0.8760 0.1953 0.5980 0.195 Uiso 1 1 calc GR . . . .
H34B H 1.0018 0.1525 0.6125 0.195 Uiso 1 1 calc GR . . . .
H34C H 0.9854 0.1962 0.5334 0.195 Uiso 1 1 calc GR . . . .
C35 C 1.2311(7) 0.3354(6) 0.6809(7) 0.085(2) Uani 1 1 d . . . . .
H35A H 1.2861 0.4074 0.7291 0.128 Uiso 1 1 calc GR . . . .
H35B H 1.2409 0.3254 0.6158 0.128 Uiso 1 1 calc GR . . . .
H35C H 1.2692 0.2914 0.7014 0.128 Uiso 1 1 calc GR . . . .


_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 O3 2.007(3) . ?
Co1 O4 2.053(3) 2_577 ?
Co1 O6 2.257(3) 2_576 ?
Co1 O7 2.133(3) 2_576 ?
Co1 N1 2.174(3) . ?
Co1 N4 2.168(3) 1_465 ?
O1 C6 1.222(6) . ?
O2 C13 1.232(6) . ?
O3 C19 1.271(5) . ?
O4 Co1 2.053(3) 2_577 ?
O4 C19 1.252(5) . ?
O5 C23 1.390(6) . ?
O5 C26 1.386(6) . ?
O6 Co1 2.257(3) 2_576 ?
O6 C32 1.284(5) . ?
O7 Co1 2.133(3) 2_576 ?
O7 C32 1.271(5) . ?
N1 C1 1.317(6) . ?
N1 C5 1.321(6) . ?
N2 H2 0.91(4) . ?
N2 C6 1.341(6) . ?
N2 C7 1.424(5) . ?
N3 H3 0.94(4) . ?
N3 C10 1.419(5) . ?
N3 C13 1.351(6) . ?
N4 Co1 2.168(3) 1_645 ?
N4 C16 1.340(6) . ?
N4 C17 1.337(5) . ?
C1 H1 0.9300 . ?
C1 C2 1.380(6) . ?
C2 H2A 0.9300 . ?
C2 C3 1.354(7) . ?
C3 C4 1.375(7) . ?
C3 C6 1.500(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.388(7) . ?
C5 H5 0.9300 . ?
C7 C8 1.383(7) . ?
C7 C12 1.382(6) . ?
C8 H8 0.9300 . ?
C8 C9 1.383(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.397(6) . ?
C10 C11 1.385(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.392(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.506(6) . ?
C14 C15 1.383(6) . ?
C14 C18 1.388(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.376(6) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.390(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.486(6) . ?
C20 C21 1.386(6) . ?
C20 C25 1.385(6) . ?
C21 H21 0.9300 . ?
C21 C22 1.390(7) . ?
C22 H22 0.9300 . ?
C22 C23 1.379(7) . ?
C23 C24 1.370(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.387(7) . ?
C25 H25 0.9300 . ?
C26 C27 1.379(7) . ?
C26 C31 1.376(7) . ?
C27 H27 0.9300 . ?
C27 C28 1.396(7) . ?
C28 H28 0.9300 . ?
C28 C29 1.396(6) . ?
C29 C30 1.383(6) . ?
C29 C32 1.481(6) . ?
C30 H30 0.9300 . ?
C30 C31 1.397(6) . ?
C31 H31 0.9300 . ?
O9 C36 1.151(17) . ?
N6 C36 1.293(18) . ?
N6 C37 1.385(18) . ?
N6 C38 1.451(18) . ?
C36 H36 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
O8 C33 1.232(6) . ?
N5 C33 1.311(7) . ?
N5 C34 1.459(9) . ?
N5 C35 1.444(8) . ?
C33 H33 0.9300 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?

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 Co1 O4 108.67(13) . 2_577 ?
O3 Co1 O6 157.89(12) . 2_576 ?
O3 Co1 O7 97.59(13) . 2_576 ?
O3 Co1 N1 85.35(13) . . ?
O3 Co1 N4 92.69(13) . 1_465 ?
O4 Co1 O6 92.84(12) 2_577 2_576 ?
O4 Co1 O7 152.85(12) 2_577 2_576 ?
O4 Co1 N1 87.55(12) 2_577 . ?
O4 Co1 N4 95.62(13) 2_577 1_465 ?
O7 Co1 O6 60.49(11) 2_576 2_576 ?
O7 Co1 N1 87.80(13) 2_576 . ?
O7 Co1 N4 89.81(13) 2_576 1_465 ?
N1 Co1 O6 90.63(12) . 2_576 ?
N4 Co1 O6 90.19(12) 1_465 2_576 ?
N4 Co1 N1 176.69(14) 1_465 . ?
C19 O3 Co1 141.5(3) . . ?
C19 O4 Co1 125.2(3) . 2_577 ?
C26 O5 C23 119.2(4) . . ?
C32 O6 Co1 86.7(2) . 2_576 ?
C32 O7 Co1 92.6(2) . 2_576 ?
C1 N1 Co1 121.6(3) . . ?
C1 N1 C5 115.7(4) . . ?
C5 N1 Co1 122.7(3) . . ?
C6 N2 H2 120(3) . . ?
C6 N2 C7 127.1(4) . . ?
C7 N2 H2 113(3) . . ?
C10 N3 H3 118(4) . . ?
C13 N3 H3 115(4) . . ?
C13 N3 C10 127.2(4) . . ?
C16 N4 Co1 123.4(3) . 1_645 ?
C17 N4 Co1 120.1(3) . 1_645 ?
C17 N4 C16 116.5(4) . . ?
N1 C1 H1 117.9 . . ?
N1 C1 C2 124.3(5) . . ?
C2 C1 H1 117.9 . . ?
C1 C2 H2A 119.8 . . ?
C3 C2 C1 120.4(5) . . ?
C3 C2 H2A 119.8 . . ?
C2 C3 C4 116.0(4) . . ?
C2 C3 C6 124.4(4) . . ?
C4 C3 C6 119.6(4) . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.2(5) . . ?
C5 C4 H4 119.9 . . ?
N1 C5 C4 123.4(5) . . ?
N1 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
O1 C6 N2 124.2(4) . . ?
O1 C6 C3 120.1(4) . . ?
N2 C6 C3 115.7(4) . . ?
C8 C7 N2 117.7(4) . . ?
C12 C7 N2 122.8(4) . . ?
C12 C7 C8 119.4(4) . . ?
C7 C8 H8 119.4 . . ?
C7 C8 C9 121.1(4) . . ?
C9 C8 H8 119.4 . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.9(4) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 N3 123.1(4) . . ?
C11 C10 N3 118.2(4) . . ?
C11 C10 C9 118.7(4) . . ?
C10 C11 H11 119.4 . . ?
C10 C11 C12 121.2(4) . . ?
C12 C11 H11 119.4 . . ?
C7 C12 C11 119.7(4) . . ?
C7 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
O2 C13 N3 123.8(4) . . ?
O2 C13 C14 119.3(4) . . ?
N3 C13 C14 116.9(4) . . ?
C15 C14 C13 117.5(4) . . ?
C15 C14 C18 118.0(4) . . ?
C18 C14 C13 124.5(4) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 C14 119.4(4) . . ?
C16 C15 H15 120.3 . . ?
N4 C16 C15 123.7(4) . . ?
N4 C16 H16 118.1 . . ?
C15 C16 H16 118.1 . . ?
N4 C17 H17 118.0 . . ?
N4 C17 C18 123.9(4) . . ?
C18 C17 H17 118.0 . . ?
C14 C18 C17 118.5(4) . . ?
C14 C18 H18 120.7 . . ?
C17 C18 H18 120.7 . . ?
O3 C19 C20 117.6(4) . . ?
O4 C19 O3 122.9(4) . . ?
O4 C19 C20 119.6(4) . . ?
C21 C20 C19 119.6(4) . . ?
C25 C20 C19 121.2(4) . . ?
C25 C20 C21 119.1(4) . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.1(4) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 119.9(4) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 O5 122.9(4) . . ?
C24 C23 O5 116.7(4) . . ?
C24 C23 C22 120.3(4) . . ?
C23 C24 H24 120.1 . . ?
C23 C24 C25 119.9(5) . . ?
C25 C24 H24 120.1 . . ?
C20 C25 C24 120.6(4) . . ?
C20 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C27 C26 O5 122.9(4) . . ?
C31 C26 O5 116.3(4) . . ?
C31 C26 C27 120.6(4) . . ?
C26 C27 H27 120.5 . . ?
C26 C27 C28 119.1(5) . . ?
C28 C27 H27 120.5 . . ?
C27 C28 H28 119.5 . . ?
C29 C28 C27 121.1(5) . . ?
C29 C28 H28 119.5 . . ?
C28 C29 C32 119.0(4) . . ?
C30 C29 C28 118.8(4) . . ?
C30 C29 C32 122.2(4) . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.2(4) . . ?
C31 C30 H30 119.9 . . ?
C26 C31 C30 120.2(4) . . ?
C26 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
O6 C32 C29 120.8(4) . . ?
O7 C32 O6 120.0(4) . . ?
O7 C32 C29 119.2(4) . . ?
C36 N6 C37 132.1(12) . . ?
C36 N6 C38 111.0(13) . . ?
C37 N6 C38 115.9(12) . . ?
O9 C36 N6 133.5(15) . . ?
O9 C36 H36 113.3 . . ?
N6 C36 H36 113.3 . . ?
N6 C37 H37A 109.5 . . ?
N6 C37 H37B 109.5 . . ?
N6 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N6 C38 H38A 109.5 . . ?
N6 C38 H38B 109.5 . . ?
N6 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C33 N5 C34 120.8(6) . . ?
C33 N5 C35 123.4(5) . . ?
C35 N5 C34 115.7(6) . . ?
O8 C33 N5 125.6(5) . . ?
O8 C33 H33 117.2 . . ?
N5 C33 H33 117.2 . . ?
N5 C34 H34A 109.5 . . ?
N5 C34 H34B 109.5 . . ?
N5 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N5 C35 H35A 109.5 . . ?
N5 C35 H35B 109.5 . . ?
N5 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?

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
N2 H2 O6 0.91(4) 2.11(4) 3.003(5) 167(5) 1_656
N3 H3 O8 0.94(4) 1.98(4) 2.888(6) 164(6) .

_olex2_exptl_crystal_mounting_method loop
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.179
_oxdiff_exptl_absorpt_empirical_full_min 0.815
