# Electronic Supplementary Material (ESI) for ChemComm.
# 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_CAU-1
_database_code_depnum_ccdc_archive 'CCDC 1834442'
_audit_update_record             
;
2018-04-03 deposited with the CCDC.
2018-04-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C8 H35 Co4 F N6 O25 P6'
_chemical_formula_weight         1055.96
_chemical_absolute_configuration ad

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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   18.247(3)
_cell_length_b                   18.281(3)
_cell_length_c                   9.4115(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3139.4(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3631
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      23.32

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.234
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2128
_exptl_absorpt_coefficient_mu    2.497
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.5975
_exptl_absorpt_correction_T_max  0.6351
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            22873
_diffrn_reflns_av_R_equivalents  0.0856
_diffrn_reflns_av_sigmaI/netI    0.1095
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         1.11
_diffrn_reflns_theta_max         28.31
_reflns_number_total             7794
_reflns_number_gt                6089
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0112P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00044(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
'Flack H D (1983), Acta Cryst. A39, 876-881. 3432 Friedel pairs'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_number_reflns         7794
_refine_ls_number_parameters     473
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0444
_refine_ls_wR_factor_ref         0.0785
_refine_ls_wR_factor_gt          0.0736
_refine_ls_goodness_of_fit_ref   0.909
_refine_ls_restrained_S_all      0.909
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.004

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.72285(2) 0.64157(2) 0.38106(4) 0.01750(11) Uani 1 1 d D . .
Co2 Co 0.86067(2) 0.70885(3) 0.11211(5) 0.01731(11) Uani 1 1 d . . .
Co3 Co 0.80581(2) 0.83498(3) 0.39251(4) 0.01798(11) Uani 1 1 d . . .
Co4 Co 0.67185(2) 0.77781(3) 0.10966(5) 0.02064(12) Uani 1 1 d . . .
P1 P 0.81538(5) 0.87213(5) 0.06491(8) 0.0171(2) Uani 1 1 d . . .
P2 P 0.86818(5) 0.99573(5) 0.49603(9) 0.0179(2) Uani 1 1 d D . .
P3 P 0.88788(5) 0.68722(5) 0.44342(8) 0.0176(2) Uani 1 1 d D . .
P4 P 0.63744(5) 0.78981(5) 0.43499(8) 0.0163(2) Uani 1 1 d . . .
P5 P 0.72054(5) 0.61683(5) 0.04869(8) 0.0177(2) Uani 1 1 d . . .
P6 P 1.02182(5) 0.64917(6) 0.01212(9) 0.0261(3) Uani 1 1 d D . .
F1 F 0.76573(10) 0.74216(10) 0.2474(2) 0.0190(5) Uani 1 1 d D . .
O1 O 0.95105(11) 0.65797(14) 0.5383(2) 0.0294(7) Uani 1 1 d D . .
H1 H 0.9422 0.6589 0.6261 0.035 Uiso 1 1 d RD . .
O2 O 0.81856(11) 0.64554(12) 0.4829(2) 0.0221(6) Uani 1 1 d . . .
O3 O 0.90956(12) 0.67354(15) 0.2873(2) 0.0288(7) Uani 1 1 d . . .
O4 O 0.87859(13) 0.76829(13) 0.4697(2) 0.0299(7) Uani 1 1 d . . .
O5 O 0.83950(13) 0.92006(12) 0.5273(2) 0.0264(7) Uani 1 1 d . . .
O6 O 0.70616(11) 0.83456(13) 0.4704(2) 0.0195(6) Uani 1 1 d . . .
O7 O 0.82069(14) 0.89457(13) 0.2241(2) 0.0295(7) Uani 1 1 d . . .
O8 O 0.95130(12) 0.68655(15) -0.0159(2) 0.0349(8) Uani 1 1 d . . .
O9 O 0.86485(13) 0.80625(13) 0.0340(2) 0.0254(7) Uani 1 1 d . . .
O10 O 0.80047(12) 0.63825(13) 0.0084(2) 0.0276(7) Uani 1 1 d . . .
O11 O 0.83977(12) 0.93493(13) -0.0272(2) 0.0244(7) Uani 1 1 d . . .
O12 O 0.73603(12) 0.85331(13) 0.0294(2) 0.0227(7) Uani 1 1 d . . .
O13 O 1.08524(12) 0.70021(15) 0.0289(2) 0.0332(8) Uani 1 1 d . . .
O14 O 0.61425(11) 0.80278(14) 0.2796(2) 0.0203(7) Uani 1 1 d . . .
O15 O 0.57641(11) 0.81739(13) 0.5336(2) 0.0195(6) Uani 1 1 d . . .
O16 O 0.65150(13) 0.70961(13) 0.4637(2) 0.0246(7) Uani 1 1 d . . .
O17 O 0.80625(13) 1.05203(14) 0.5044(2) 0.0274(7) Uani 1 1 d . . .
O18 O 0.66907(12) 0.68166(13) 0.0209(2) 0.0269(7) Uani 1 1 d . . .
O19 O 0.69740(13) 0.55605(13) -0.0533(2) 0.0233(7) Uani 1 1 d D . .
H19 H 0.6908 0.5181 -0.0086 0.028 Uiso 1 1 d RD . .
O20 O 0.71423(14) 0.59165(14) 0.2002(2) 0.0296(8) Uani 1 1 d . . .
O21 O 1.01485(13) 0.60406(14) 0.1533(3) 0.0491(9) Uani 1 1 d D . .
H21 H 0.9714 0.5901 0.1673 0.059 Uiso 1 1 d RD . .
O22 O 0.89812(13) 0.99655(14) 0.3342(2) 0.0295(8) Uani 1 1 d D . .
H22 H 0.8611 0.9913 0.2788 0.035 Uiso 1 1 d RD . .
O23 O 0.93471(12) 1.01573(14) 0.5868(2) 0.0279(7) Uani 1 1 d . . .
H23 H 0.9364 1.0602 0.5972 0.034 Uiso 1 1 d R . .
O24 O 1.03673(15) 0.59401(16) -0.1056(3) 0.0647(9) Uani 1 1 d . . .
H24 H 1.0533 0.5563 -0.0708 0.078 Uiso 1 1 d R . .
N2 N 0.01241(15) 0.84629(16) 0.9935(3) 0.0269(8) Uani 1 1 d . . .
H2A H -0.0288 0.8195 1.0008 0.032 Uiso 1 1 calc R . .
H2B H 0.0507 0.8152 0.9922 0.032 Uiso 1 1 calc R . .
C2 C 0.01867(18) 0.89498(18) 1.1193(3) 0.0237(10) Uani 1 1 d . . .
H2C H -0.0268 0.9218 1.1308 0.028 Uiso 1 1 calc R . .
H2D H 0.0575 0.9302 1.1028 0.028 Uiso 1 1 calc R . .
C1 C 0.03471(19) 0.8538(2) 1.2541(4) 0.0315(12) Uani 1 1 d . . .
H1A H 0.0169 0.8814 1.3350 0.038 Uiso 1 1 calc R . .
H1B H 0.0095 0.8071 1.2526 0.038 Uiso 1 1 calc R . .
N1 N 0.11483(16) 0.84146(18) 1.2687(3) 0.0338(10) Uani 1 1 d . . .
H1C H 0.1318 0.8197 1.1908 0.051 Uiso 1 1 calc R . .
H1D H 0.1234 0.8131 1.3438 0.051 Uiso 1 1 calc R . .
H1E H 0.1374 0.8842 1.2803 0.051 Uiso 1 1 calc R . .
C3 C 0.01075(19) 0.8890(2) 0.8554(3) 0.0281(11) Uani 1 1 d . . .
H3A H 0.0587 0.9098 0.8365 0.034 Uiso 1 1 calc R . .
H3B H -0.0244 0.9286 0.8622 0.034 Uiso 1 1 calc R . .
N3 N -0.09009(14) 0.82670(19) 0.7291(3) 0.0323(10) Uani 1 1 d . . .
H3C H -0.1036 0.7946 0.7952 0.048 Uiso 1 1 calc R . .
H3D H -0.1025 0.8099 0.6437 0.048 Uiso 1 1 calc R . .
H3E H -0.1125 0.8692 0.7446 0.048 Uiso 1 1 calc R . .
C4 C -0.01094(19) 0.8372(2) 0.7351(4) 0.0303(11) Uani 1 1 d . . .
H4A H 0.0060 0.8571 0.6453 0.036 Uiso 1 1 calc R . .
H4B H 0.0128 0.7903 0.7491 0.036 Uiso 1 1 calc R . .
N4 N 0.68482(16) 0.87374(16) 0.7632(3) 0.0295(9) Uani 1 1 d . . .
H4C H 0.7106 0.8596 0.6879 0.044 Uiso 1 1 calc R . .
H4D H 0.6398 0.8552 0.7579 0.044 Uiso 1 1 calc R . .
H4E H 0.7065 0.8578 0.8421 0.044 Uiso 1 1 calc R . .
N5 N 0.66672(15) 0.97913(15) 0.5070(2) 0.0190(8) Uani 1 1 d . . .
H5A H 0.7045 1.0107 0.5031 0.023 Uiso 1 1 calc R . .
H5B H 0.6848 0.9338 0.4944 0.023 Uiso 1 1 calc R . .
C7 C 0.61569(18) 0.9957(2) 0.3911(4) 0.0307(10) Uani 1 1 d . . .
H7A H 0.5836 1.0355 0.4188 0.037 Uiso 1 1 calc R . .
H7B H 0.5856 0.9531 0.3712 0.037 Uiso 1 1 calc R . .
C6 C 0.6320(2) 0.9836(2) 0.6527(3) 0.0317(11) Uani 1 1 d . . .
H6A H 0.6203 1.0342 0.6736 0.038 Uiso 1 1 calc R . .
H6B H 0.5865 0.9561 0.6523 0.038 Uiso 1 1 calc R . .
C5 C 0.6807(2) 0.9544(2) 0.7663(3) 0.0405(13) Uani 1 1 d . . .
H5C H 0.7295 0.9745 0.7544 0.049 Uiso 1 1 calc R . .
H5D H 0.6624 0.9700 0.8582 0.049 Uiso 1 1 calc R . .
C8 C 0.6591(2) 1.0173(2) 0.2565(4) 0.0381(12) Uani 1 1 d . . .
N6 N 0.6156(3) 1.0374(3) 0.1415(5) 0.0350(5) Uani 0.580(4) 1 d PU . .
N6' N 0.6015(4) 1.0818(5) 0.2029(7) 0.0350(6) Uani 0.420(4) 1 d PU . .
O1W O 0.27210(16) 0.76893(18) 0.2560(3) 0.0576(10) Uani 1 1 d D . .
H1W H 0.2943(12) 0.8090(7) 0.3022(13) 0.086 Uiso 1 1 d D . .
H2W H 0.2865(15) 0.7646(11) 0.1602(10) 0.086 Uiso 1 1 d D . .


_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 O20 1.938(2) . ?
Co1 O16 1.961(2) . ?
Co1 O2 1.994(2) . ?
Co1 O17 2.030(2) 4_646 ?
Co1 F1 2.361(2) . ?
Co2 O9 1.928(2) . ?
Co2 O10 1.956(2) . ?
Co2 O3 1.982(2) . ?
Co2 O8 2.086(2) . ?
Co2 F1 2.2348(19) . ?
Co3 O7 1.942(2) . ?
Co3 O4 1.944(2) . ?
Co3 O6 1.961(2) . ?
Co3 O5 2.099(2) . ?
Co3 F1 2.297(2) . ?
Co4 O18 1.947(2) . ?
Co4 O12 1.961(2) . ?
Co4 O14 1.968(2) . ?
Co4 O13 2.088(2) 3_465 ?
Co4 F1 2.2450(19) . ?
P1 O11 1.506(2) . ?
P1 O12 1.525(2) . ?
P1 O9 1.533(3) . ?
P1 O7 1.557(2) . ?
P2 O5 1.508(2) . ?
P2 O23 1.529(2) . ?
P2 O17 1.530(3) . ?
P2 O22 1.619(2) . ?
P3 O4 1.512(2) . ?
P3 O2 1.523(2) . ?
P3 O3 1.542(2) . ?
P3 O1 1.553(2) . ?
P4 O16 1.513(3) . ?
P4 O6 1.534(2) . ?
P4 O15 1.535(2) . ?
P4 O14 1.541(2) . ?
P5 O20 1.503(2) . ?
P5 O19 1.528(2) . ?
P5 O18 1.535(2) . ?
P5 O10 1.557(2) . ?
P6 O8 1.481(2) . ?
P6 O13 1.495(3) . ?
P6 O24 1.523(3) . ?
P6 O21 1.569(3) . ?
O13 Co4 2.088(2) 3_565 ?
O17 Co1 2.030(2) 4_656 ?
N2 C2 1.486(4) . ?
N2 C3 1.516(4) . ?
C2 C1 1.505(5) . ?
C1 N1 1.485(4) . ?
C3 C4 1.527(5) . ?
N3 C4 1.458(4) . ?
N4 C5 1.476(5) . ?
N5 C7 1.466(4) . ?
N5 C6 1.513(4) . ?
C7 C8 1.545(5) . ?
C6 C5 1.490(5) . ?
C8 N6 1.391(6) . ?
C8 N6' 1.657(9) . ?
N6 N6' 1.029(9) . ?

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
O20 Co1 O16 126.37(10) . . ?
O20 Co1 O2 120.70(10) . . ?
O16 Co1 O2 111.59(9) . . ?
O20 Co1 O17 93.75(10) . 4_646 ?
O16 Co1 O17 97.31(10) . 4_646 ?
O2 Co1 O17 90.19(9) . 4_646 ?
O20 Co1 F1 85.74(9) . . ?
O16 Co1 F1 86.40(8) . . ?
O2 Co1 F1 86.41(8) . . ?
O17 Co1 F1 175.70(8) 4_646 . ?
O9 Co2 O10 116.20(10) . . ?
O9 Co2 O3 126.87(10) . . ?
O10 Co2 O3 116.93(10) . . ?
O9 Co2 O8 85.92(10) . . ?
O10 Co2 O8 91.61(10) . . ?
O3 Co2 O8 93.43(9) . . ?
O9 Co2 F1 89.78(9) . . ?
O10 Co2 F1 91.65(8) . . ?
O3 Co2 F1 87.92(9) . . ?
O8 Co2 F1 175.44(9) . . ?
O7 Co3 O4 124.15(10) . . ?
O7 Co3 O6 115.91(10) . . ?
O4 Co3 O6 119.44(10) . . ?
O7 Co3 O5 92.10(9) . . ?
O4 Co3 O5 92.22(9) . . ?
O6 Co3 O5 92.78(9) . . ?
O7 Co3 F1 88.50(9) . . ?
O4 Co3 F1 88.65(8) . . ?
O6 Co3 F1 85.64(8) . . ?
O5 Co3 F1 178.42(8) . . ?
O18 Co4 O12 119.07(9) . . ?
O18 Co4 O14 122.97(10) . . ?
O12 Co4 O14 117.95(10) . . ?
O18 Co4 O13 83.46(10) . 3_465 ?
O12 Co4 O13 94.36(9) . 3_465 ?
O14 Co4 O13 93.37(9) . 3_465 ?
O18 Co4 F1 90.32(8) . . ?
O12 Co4 F1 88.34(8) . . ?
O14 Co4 F1 90.31(8) . . ?
O13 Co4 F1 173.77(9) 3_465 . ?
O11 P1 O12 109.07(13) . . ?
O11 P1 O9 108.41(13) . . ?
O12 P1 O9 109.89(13) . . ?
O11 P1 O7 109.56(13) . . ?
O12 P1 O7 109.23(13) . . ?
O9 P1 O7 110.66(13) . . ?
O5 P2 O23 112.68(14) . . ?
O5 P2 O17 110.52(14) . . ?
O23 P2 O17 113.37(14) . . ?
O5 P2 O22 108.03(14) . . ?
O23 P2 O22 104.82(13) . . ?
O17 P2 O22 106.96(13) . . ?
O4 P3 O2 110.94(13) . . ?
O4 P3 O3 110.10(14) . . ?
O2 P3 O3 111.37(13) . . ?
O4 P3 O1 109.07(14) . . ?
O2 P3 O1 107.70(13) . . ?
O3 P3 O1 107.55(13) . . ?
O16 P4 O6 109.86(13) . . ?
O16 P4 O15 109.48(13) . . ?
O6 P4 O15 106.65(12) . . ?
O16 P4 O14 111.41(13) . . ?
O6 P4 O14 110.40(13) . . ?
O15 P4 O14 108.92(12) . . ?
O20 P5 O19 110.61(14) . . ?
O20 P5 O18 110.56(14) . . ?
O19 P5 O18 106.61(13) . . ?
O20 P5 O10 112.32(14) . . ?
O19 P5 O10 106.79(13) . . ?
O18 P5 O10 109.73(13) . . ?
O8 P6 O13 113.80(16) . . ?
O8 P6 O24 109.35(15) . . ?
O13 P6 O24 110.60(15) . . ?
O8 P6 O21 108.84(14) . . ?
O13 P6 O21 107.53(14) . . ?
O24 P6 O21 106.43(16) . . ?
Co2 F1 Co4 109.97(9) . . ?
Co2 F1 Co3 107.05(8) . . ?
Co4 F1 Co3 111.83(8) . . ?
Co2 F1 Co1 110.37(8) . . ?
Co4 F1 Co1 106.31(7) . . ?
Co3 F1 Co1 111.35(9) . . ?
P3 O2 Co1 128.95(13) . . ?
P3 O3 Co2 128.62(15) . . ?
P3 O4 Co3 129.07(14) . . ?
P2 O5 Co3 131.53(13) . . ?
P4 O6 Co3 132.77(13) . . ?
P1 O7 Co3 128.98(15) . . ?
P6 O8 Co2 132.55(14) . . ?
P1 O9 Co2 129.05(14) . . ?
P5 O10 Co2 124.79(13) . . ?
P1 O12 Co4 129.89(13) . . ?
P6 O13 Co4 129.80(14) . 3_565 ?
P4 O14 Co4 126.10(13) . . ?
P4 O16 Co1 131.04(14) . . ?
P2 O17 Co1 139.69(15) . 4_656 ?
P5 O18 Co4 127.48(13) . . ?
P5 O20 Co1 133.08(16) . . ?
C2 N2 C3 112.1(3) . . ?
N2 C2 C1 112.8(3) . . ?
N1 C1 C2 110.2(3) . . ?
N2 C3 C4 108.8(3) . . ?
N3 C4 C3 111.5(3) . . ?
C7 N5 C6 113.4(3) . . ?
N5 C7 C8 109.7(3) . . ?
C5 C6 N5 112.4(3) . . ?
N4 C5 C6 112.0(3) . . ?
N6 C8 C7 114.4(4) . . ?
N6 C8 N6' 38.2(3) . . ?
C7 C8 N6' 96.2(3) . . ?
N6' N6 C8 85.0(5) . . ?
N6 N6' C8 56.8(5) . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        28.31
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.657
_refine_diff_density_min         -0.712
_refine_diff_density_rms         0.125
