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

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  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
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#  except for the purpose of generating routine backup copies
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data_122413a_stella
_audit_creation_date             2014-01-02
_audit_creation_method           
;
  Olex2 1.1
  (compiled 2011.11.01 svn.r2039, GUI svn.r3906)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '2(Cl2 O8), C60 H40 Co2 N12, 2(O)'
_chemical_formula_sum            'C60 H44 Cl4 Co2 N12 O18'
_chemical_formula_weight         1480.73
_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'
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'
Cl Cl 0.1484 0.1585 '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      tetragonal
_space_group_IT_number           142
_space_group_name_H-M_alt        'I 41/a c d'
_space_group_name_Hall           '-I 4bd 2c'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, -y, z+1/2'
3 '-y+1/4, x+3/4, z+1/4'
4 'y+1/4, -x+1/4, z+3/4'
5 '-x+1/2, y, -z'
6 'x, -y, -z+1/2'
7 'y+1/4, x+3/4, -z+3/4'
8 '-y+1/4, -x+1/4, -z+1/4'
9 'x+1/2, y+1/2, z+1/2'
10 '-x+1, -y+1/2, z+1'
11 '-y+3/4, x+5/4, z+3/4'
12 'y+3/4, -x+3/4, z+5/4'
13 '-x+1, y+1/2, -z+1/2'
14 'x+1/2, -y+1/2, -z+1'
15 'y+3/4, x+5/4, -z+5/4'
16 '-y+3/4, -x+3/4, -z+3/4'
17 '-x, -y, -z'
18 'x-1/2, y, -z-1/2'
19 'y-1/4, -x-3/4, -z-1/4'
20 '-y-1/4, x-1/4, -z-3/4'
21 'x-1/2, -y, z'
22 '-x, y, z-1/2'
23 '-y-1/4, -x-3/4, z-3/4'
24 'y-1/4, x-1/4, z-1/4'
25 '-x+1/2, -y+1/2, -z+1/2'
26 'x, y+1/2, -z'
27 'y+1/4, -x-1/4, -z+1/4'
28 '-y+1/4, x+1/4, -z-1/4'
29 'x, -y+1/2, z+1/2'
30 '-x+1/2, y+1/2, z'
31 '-y+1/4, -x-1/4, z-1/4'
32 'y+1/4, x+1/4, z+1/4'

_cell_length_a                   23.5247(2)
_cell_length_b                   23.5247(2)
_cell_length_c                   45.7102(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     25296.6(6)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    9808
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.1599
_cell_measurement_theta_min      3.1795
_exptl_absorpt_coefficient_mu    0.776
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.99611
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangle
_exptl_crystal_F_000             12064
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.19
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_av_unetI/netI     0.0205
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_number            57133
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.19
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.1270
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'MO K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_source_current           n/a
_diffrn_source_voltage           n/a
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4263
_reflns_number_total             5567
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.504
_refine_diff_density_min         -0.506
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         5567
_refine_ls_number_restraints     100
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0591
_refine_ls_restrained_S_all      1.105
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0978P)²+133.9227P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1658
_refine_ls_wR_factor_ref         0.1909
_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. 
;
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.4950(4) 0.2511(5) 0.51907(8) 0.0745(12) Uani 0.50 1 d PDU A -1
O1 O 0.4382(3) 0.2362(3) 0.52763(19) 0.070(2) Uani 0.50 1 d PDU A -1
O2 O 0.5256(5) 0.2746(6) 0.5428(2) 0.146(5) Uani 0.50 1 d PDU A -1
O3 O 0.4908(5) 0.2914(5) 0.4951(2) 0.099(4) Uani 0.50 1 d PDU A -1
O4 O 0.5222(4) 0.2003(5) 0.5088(2) 0.088(3) Uani 0.50 1 d PDU A -1
Cl2 Cl 0.51526(5) 0.44783(6) 0.59172(3) 0.0494(4) Uani 1 1 d . . .
O5 O 0.50955(17) 0.44886(18) 0.56038(7) 0.0568(10) Uani 1 1 d . . .
O6 O 0.5156(3) 0.3892(2) 0.60087(11) 0.0951(17) Uani 1 1 d . . .
O7 O 0.5674(2) 0.4701(3) 0.60065(10) 0.1005(19) Uani 1 1 d . . .
O8 O 0.4686(2) 0.4713(3) 0.60571(11) 0.112(2) Uani 1 1 d . . .
Cl3 Cl 0.6321(3) 0.3853(3) 0.3751(2) 0.0566(7) Uani 0.50 1 d PDU B -2
O9 O 0.6640(6) 0.4255(5) 0.3581(3) 0.156(5) Uani 0.50 1 d PDU B -2
O10 O 0.6240(4) 0.3331(3) 0.3598(2) 0.089(3) Uani 0.50 1 d PDU B -2
O11 O 0.6630(5) 0.3747(4) 0.4015(2) 0.111(4) Uani 0.50 1 d PDU B -2
O12 O 0.5791(4) 0.4115(5) 0.3824(3) 0.113(4) Uani 0.50 1 d PDU B -2
Co1 Co 0.2500 0.54665(3) 0.5000 0.0315(2) Uani 1 2 d S . .
Co2 Co 0.2500 0.35201(3) 0.5000 0.0302(2) Uani 1 2 d S . .
N1 N 0.21437(17) 0.60329(16) 0.53300(10) 0.0423(10) Uani 1 1 d . . .
N2 N 0.33313(15) 0.55761(16) 0.51314(9) 0.0378(9) Uani 1 1 d . . .
N3 N 0.23885(15) 0.48782(15) 0.46239(8) 0.0330(8) Uani 1 1 d . . .
N4 N 0.32206(15) 0.41119(15) 0.49183(7) 0.0300(8) Uani 1 1 d . . .
N5 N 0.30201(15) 0.34300(15) 0.53561(8) 0.0330(8) Uani 1 1 d . . .
N6 N 0.20281(18) 0.29466(17) 0.52813(9) 0.0429(10) Uani 1 1 d . . .
C1 C 0.1578(2) 0.61261(19) 0.53012(12) 0.0437(12) Uani 1 1 d . . .
C2 C 0.1263(2) 0.6375(2) 0.55262(16) 0.0611(16) Uani 1 1 d . . .
H2 H 0.0866 0.6435 0.5501 0.073 Uiso 1 1 calc R . .
C3 C 0.1519(3) 0.6533(2) 0.57817(16) 0.0656(17) Uani 1 1 d . . .
H3 H 0.1305 0.6699 0.5936 0.079 Uiso 1 1 calc R . .
C4 C 0.2094(3) 0.6448(2) 0.58099(15) 0.0616(16) Uani 1 1 d . . .
H4 H 0.2286 0.6557 0.5984 0.074 Uiso 1 1 calc R . .
C5 C 0.2391(2) 0.6201(2) 0.55824(13) 0.0519(13) Uani 1 1 d . . .
H5 H 0.2789 0.6147 0.5604 0.062 Uiso 1 1 calc R . .
C6 C 0.36641(19) 0.5929(2) 0.49764(13) 0.0442(12) Uani 1 1 d . . .
C7 C 0.4197(2) 0.6094(2) 0.50836(15) 0.0577(15) Uani 1 1 d . . .
H7 H 0.4433 0.6347 0.4976 0.069 Uiso 1 1 calc R . .
C8 C 0.4368(2) 0.5882(3) 0.53473(16) 0.0640(18) Uani 1 1 d . . .
H8 H 0.4724 0.5997 0.5426 0.077 Uiso 1 1 calc R . .
C9 C 0.4038(2) 0.5506(2) 0.55011(14) 0.0554(15) Uani 1 1 d . . .
H9 H 0.4165 0.5351 0.5682 0.066 Uiso 1 1 calc R . .
C10 C 0.35078(19) 0.5355(2) 0.53851(11) 0.0417(12) Uani 1 1 d . . .
C11 C 0.1907(2) 0.4980(2) 0.44691(11) 0.0403(11) Uani 1 1 d . . .
C12 C 0.1825(3) 0.4754(3) 0.41909(12) 0.0545(14) Uani 1 1 d . . .
H12 H 0.1479 0.4821 0.4089 0.065 Uiso 1 1 calc R . .
C13 C 0.2249(3) 0.4431(3) 0.40654(11) 0.0580(15) Uani 1 1 d . . .
H13 H 0.2199 0.4277 0.3875 0.070 Uiso 1 1 calc R . .
C14 C 0.2746(3) 0.4334(2) 0.42185(11) 0.0486(12) Uani 1 1 d . . .
H14 H 0.3047 0.4122 0.4133 0.058 Uiso 1 1 calc R . .
C15 C 0.2795(2) 0.45525(18) 0.44984(10) 0.0359(10) Uani 1 1 d . . .
C16 C 0.33015(19) 0.44449(18) 0.46827(9) 0.0318(9) Uani 1 1 d . . .
C17 C 0.3824(2) 0.4687(2) 0.46168(10) 0.0391(11) Uani 1 1 d . . .
H17 H 0.3872 0.4910 0.4445 0.047 Uiso 1 1 calc R . .
C18 C 0.4273(2) 0.4597(2) 0.48064(11) 0.0426(11) Uani 1 1 d . . .
H18 H 0.4634 0.4762 0.4768 0.051 Uiso 1 1 calc R . .
C19 C 0.4195(2) 0.4267(2) 0.50510(10) 0.0394(11) Uani 1 1 d . . .
H19 H 0.4499 0.4205 0.5184 0.047 Uiso 1 1 calc R . .
C20 C 0.36654(18) 0.40253(19) 0.51014(9) 0.0330(10) Uani 1 1 d . . .
C21 C 0.35443(19) 0.36569(19) 0.53564(9) 0.0335(10) Uani 1 1 d . . .
C22 C 0.3928(2) 0.3542(2) 0.55801(11) 0.0450(12) Uani 1 1 d . . .
H22 H 0.4301 0.3698 0.5576 0.054 Uiso 1 1 calc R . .
C23 C 0.3755(3) 0.3199(2) 0.58069(11) 0.0523(14) Uani 1 1 d . . .
H23 H 0.4009 0.3119 0.5963 0.063 Uiso 1 1 calc R . .
C24 C 0.3214(2) 0.2968(2) 0.58083(11) 0.0477(13) Uani 1 1 d . . .
H24 H 0.3093 0.2731 0.5964 0.057 Uiso 1 1 calc R . .
C25 C 0.2853(2) 0.3090(2) 0.55772(9) 0.0383(11) Uani 1 1 d . . .
C26 C 0.2267(2) 0.2871(2) 0.55477(10) 0.0419(11) Uani 1 1 d . . .
C27 C 0.1972(3) 0.2619(3) 0.57771(13) 0.0600(16) Uani 1 1 d . . .
H27 H 0.2147 0.2571 0.5963 0.072 Uiso 1 1 calc R . .
C28 C 0.1424(3) 0.2440(3) 0.57317(16) 0.078(2) Uani 1 1 d . . .
H28 H 0.1211 0.2279 0.5888 0.093 Uiso 1 1 calc R . .
C29 C 0.1179(3) 0.2495(3) 0.54548(15) 0.076(2) Uani 1 1 d . . .
H29 H 0.0806 0.2358 0.5416 0.091 Uiso 1 1 calc R . .
C30 C 0.1502(3) 0.2757(2) 0.52382(13) 0.0595(15) Uani 1 1 d . . .
H30 H 0.1338 0.2803 0.5050 0.071 Uiso 1 1 calc R . .
O1S O 0.5931(4) 0.6048(4) 0.6021(2) 0.074(2) Uiso 0.50 1 d P . .
O2S O 0.5740(7) 0.2464(7) 0.3377(3) 0.136(5) Uiso 0.50 1 d P . .


_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
Cl1 O1 1.435(9) . ?
Cl1 O2 1.415(8) . ?
Cl1 O3 1.450(8) . ?
Cl1 O4 1.436(9) . ?
Cl2 O5 1.439(3) . ?
Cl2 O6 1.440(5) . ?
Cl2 O7 1.394(5) . ?
Cl2 O8 1.385(5) . ?
Cl3 O9 1.434(8) . ?
Cl3 O10 1.424(8) . ?
Cl3 O11 1.431(9) . ?
Cl3 O12 1.432(9) . ?
Co1 N1 2.180(4) . ?
Co1 N1 2.180(4) 5_556 ?
Co1 N2 2.062(4) . ?
Co1 N2 2.062(4) 5_556 ?
Co1 N3 2.223(4) . ?
Co1 N3 2.223(4) 5_556 ?
Co2 N4 2.225(4) 5_556 ?
Co2 N4 2.225(4) . ?
Co2 N5 2.047(4) 5_556 ?
Co2 N5 2.047(4) . ?
Co2 N6 2.169(4) . ?
Co2 N6 2.169(4) 5_556 ?
N1 C1 1.354(6) . ?
N1 C5 1.352(7) . ?
N2 C6 1.343(7) . ?
N2 C10 1.338(7) . ?
N3 C11 1.357(6) . ?
N3 C15 1.354(6) . ?
N4 C16 1.345(6) . ?
N4 C20 1.355(6) . ?
N5 C21 1.344(6) . ?
N5 C25 1.347(6) . ?
N6 C26 1.353(6) . ?
N6 C30 1.330(7) . ?
C1 C2 1.398(8) . ?
C1 C6 1.467(8) 5_556 ?
C2 H2 0.9500 . ?
C2 C3 1.367(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.373(9) . ?
C4 H4 0.9500 . ?
C4 C5 1.380(8) . ?
C5 H5 0.9500 . ?
C6 C1 1.467(8) 5_556 ?
C6 C7 1.401(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.366(9) . ?
C8 H8 0.9500 . ?
C8 C9 1.372(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.400(7) . ?
C10 C11 1.474(8) 5_556 ?
C11 C10 1.474(8) 5_556 ?
C11 C12 1.392(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.379(9) . ?
C13 H13 0.9500 . ?
C13 C14 1.383(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.384(7) . ?
C15 C16 1.480(7) . ?
C16 C17 1.388(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.383(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.373(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.389(7) . ?
C20 C21 1.480(6) . ?
C21 C22 1.390(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.376(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.383(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.387(7) . ?
C25 C26 1.477(7) . ?
C26 C27 1.390(7) . ?
C27 H27 0.9500 . ?
C27 C28 1.373(9) . ?
C28 H28 0.9500 . ?
C28 C29 1.397(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.392(8) . ?
C30 H30 0.9500 . ?

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
O1 Cl1 O3 107.6(7) . . ?
O1 Cl1 O4 107.5(8) . . ?
O2 Cl1 O1 111.1(7) . . ?
O2 Cl1 O3 111.1(8) . . ?
O2 Cl1 O4 110.4(8) . . ?
O4 Cl1 O3 109.1(6) . . ?
O5 Cl2 O6 107.8(3) . . ?
O7 Cl2 O5 111.5(3) . . ?
O7 Cl2 O6 105.7(4) . . ?
O8 Cl2 O5 112.3(3) . . ?
O8 Cl2 O6 104.6(4) . . ?
O8 Cl2 O7 114.3(4) . . ?
O10 Cl3 O9 111.9(8) . . ?
O10 Cl3 O11 109.2(7) . . ?
O10 Cl3 O12 111.7(6) . . ?
O11 Cl3 O9 107.8(7) . . ?
O11 Cl3 O12 108.6(8) . . ?
O12 Cl3 O9 107.4(8) . . ?
N1 Co1 N1 104.7(2) . 5_556 ?
N1 Co1 N3 150.50(15) 5_556 5_556 ?
N1 Co1 N3 83.73(14) 5_556 . ?
N1 Co1 N3 150.50(15) . . ?
N1 Co1 N3 83.73(14) . 5_556 ?
N2 Co1 N1 94.97(15) . . ?
N2 Co1 N1 76.14(16) 5_556 . ?
N2 Co1 N1 76.14(16) . 5_556 ?
N2 Co1 N1 94.97(15) 5_556 5_556 ?
N2 Co1 N2 165.6(2) . 5_556 ?
N2 Co1 N3 74.97(15) 5_556 . ?
N2 Co1 N3 74.97(15) . 5_556 ?
N2 Co1 N3 114.53(14) 5_556 5_556 ?
N2 Co1 N3 114.53(14) . . ?
N3 Co1 N3 102.98(18) 5_556 . ?
N4 Co2 N4 102.54(18) . 5_556 ?
N5 Co2 N4 75.10(14) . . ?
N5 Co2 N4 112.74(13) 5_556 . ?
N5 Co2 N4 112.75(13) . 5_556 ?
N5 Co2 N4 75.10(14) 5_556 5_556 ?
N5 Co2 N5 168.1(2) . 5_556 ?
N5 Co2 N6 76.71(15) . . ?
N5 Co2 N6 95.80(15) 5_556 . ?
N5 Co2 N6 95.80(15) . 5_556 ?
N5 Co2 N6 76.71(15) 5_556 5_556 ?
N6 Co2 N4 84.25(14) . 5_556 ?
N6 Co2 N4 151.45(14) 5_556 5_556 ?
N6 Co2 N4 84.25(14) 5_556 . ?
N6 Co2 N4 151.45(14) . . ?
N6 Co2 N6 103.1(2) . 5_556 ?
C1 N1 Co1 114.2(3) . . ?
C5 N1 Co1 127.2(3) . . ?
C5 N1 C1 117.3(4) . . ?
C6 N2 Co1 118.5(3) . . ?
C10 N2 Co1 119.9(3) . . ?
C10 N2 C6 121.2(4) . . ?
C11 N3 Co1 113.1(3) . . ?
C15 N3 Co1 126.6(3) . . ?
C15 N3 C11 118.0(4) . . ?
C16 N4 Co2 127.3(3) . . ?
C16 N4 C20 118.2(4) . . ?
C20 N4 Co2 113.0(3) . . ?
C21 N5 Co2 120.5(3) . . ?
C21 N5 C25 120.2(4) . . ?
C25 N5 Co2 118.9(3) . . ?
C26 N6 Co2 113.8(3) . . ?
C30 N6 Co2 126.6(4) . . ?
C30 N6 C26 118.4(4) . . ?
N1 C1 C2 121.2(5) . . ?
N1 C1 C6 114.5(4) . 5_556 ?
C2 C1 C6 124.2(5) . 5_556 ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.5(5) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 120.8 . . ?
C2 C3 C4 118.4(6) . . ?
C4 C3 H3 120.8 . . ?
C3 C4 H4 120.4 . . ?
C3 C4 C5 119.3(6) . . ?
C5 C4 H4 120.4 . . ?
N1 C5 C4 123.3(5) . . ?
N1 C5 H5 118.4 . . ?
C4 C5 H5 118.4 . . ?
N2 C6 C1 115.2(4) . 5_556 ?
N2 C6 C7 120.6(5) . . ?
C7 C6 C1 124.2(5) . 5_556 ?
C6 C7 H7 121.0 . . ?
C8 C7 C6 118.1(6) . . ?
C8 C7 H7 121.0 . . ?
C7 C8 H8 119.3 . . ?
C7 C8 C9 121.4(5) . . ?
C9 C8 H8 119.3 . . ?
C8 C9 H9 120.8 . . ?
C8 C9 C10 118.3(6) . . ?
C10 C9 H9 120.8 . . ?
N2 C10 C9 120.4(5) . . ?
N2 C10 C11 114.8(4) . 5_556 ?
C9 C10 C11 124.7(5) . 5_556 ?
N3 C11 C10 115.0(4) . 5_556 ?
N3 C11 C12 121.7(5) . . ?
C12 C11 C10 123.3(5) . 5_556 ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.3(5) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 120.2 . . ?
C12 C13 C14 119.5(5) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 120.8 . . ?
C13 C14 C15 118.5(5) . . ?
C15 C14 H14 120.8 . . ?
N3 C15 C14 122.9(5) . . ?
N3 C15 C16 115.1(4) . . ?
C14 C15 C16 122.0(5) . . ?
N4 C16 C15 116.2(4) . . ?
N4 C16 C17 122.5(4) . . ?
C17 C16 C15 121.3(4) . . ?
C16 C17 H17 120.7 . . ?
C18 C17 C16 118.5(4) . . ?
C18 C17 H17 120.7 . . ?
C17 C18 H18 120.2 . . ?
C19 C18 C17 119.7(4) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 H19 120.5 . . ?
C18 C19 C20 119.1(4) . . ?
C20 C19 H19 120.5 . . ?
N4 C20 C19 121.9(4) . . ?
N4 C20 C21 115.2(4) . . ?
C19 C20 C21 122.9(4) . . ?
N5 C21 C20 114.1(4) . . ?
N5 C21 C22 121.3(4) . . ?
C22 C21 C20 124.6(4) . . ?
C21 C22 H22 120.8 . . ?
C23 C22 C21 118.5(5) . . ?
C23 C22 H22 120.8 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.4(5) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 120.7 . . ?
C23 C24 C25 118.7(5) . . ?
C25 C24 H24 120.7 . . ?
N5 C25 C24 121.0(5) . . ?
N5 C25 C26 114.3(4) . . ?
C24 C25 C26 124.7(4) . . ?
N6 C26 C25 115.0(4) . . ?
N6 C26 C27 121.8(5) . . ?
C27 C26 C25 123.1(5) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 C26 119.1(6) . . ?
C28 C27 H27 120.5 . . ?
C27 C28 H28 120.1 . . ?
C27 C28 C29 119.7(6) . . ?
C29 C28 H28 120.1 . . ?
C28 C29 H29 121.3 . . ?
C30 C29 C28 117.4(6) . . ?
C30 C29 H29 121.3 . . ?
N6 C30 C29 123.4(6) . . ?
N6 C30 H30 118.3 . . ?
C29 C30 H30 118.3 . . ?

_database_code_depnum_ccdc_archive 'CCDC 1019645'
