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

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#
#                 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 
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data_bo2773

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H33 Cl3 Co N5 O6'
_chemical_formula_weight         640.82

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'

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

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

_cell_length_a                   9.173(4)
_cell_length_b                   13.175(5)
_cell_length_c                   23.399(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2828.0(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    8783
_cell_measurement_theta_min      2.328
_cell_measurement_theta_max      29.031

_exptl_crystal_description       Prism
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1328
_exptl_absorpt_coefficient_mu    0.937
_exptl_absorpt_correction_type   Multi-scans
_exptl_absorpt_correction_T_min  0.6646
_exptl_absorpt_correction_T_max  0.9680
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  AFC10/Saturn724+
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            36663
_diffrn_reflns_av_R_equivalents  0.0668
_diffrn_reflns_av_sigmaI/netI    0.0686
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.38
_diffrn_reflns_theta_max         29.02
_reflns_number_total             7514
_reflns_number_gt                5701
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1110P)²+0.9630P] 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     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.03(2)
_refine_ls_number_reflns         7514
_refine_ls_number_parameters     346
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0879
_refine_ls_R_factor_gt           0.0693
_refine_ls_wR_factor_ref         0.1907
_refine_ls_wR_factor_gt          0.1748
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_restrained_S_all      1.002
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.52487(6) 0.57631(5) 0.43143(3) 0.02762(16) Uani 1 1 d . . .
Cl1 Cl 0.57339(13) 0.73404(10) 0.46100(5) 0.0342(3) Uani 1 1 d . . .
Cl2 Cl 0.66481(15) 0.30052(11) 0.59085(7) 0.0466(3) Uani 1 1 d . . .
Cl3 Cl 0.3246(2) 0.71709(15) 0.23797(8) 0.0631(5) Uani 1 1 d . . .
N1 N 0.4981(4) 0.4361(3) 0.40593(16) 0.0298(8) Uani 1 1 d . . .
N2 N 0.3358(4) 0.6049(3) 0.39768(16) 0.0284(8) Uani 1 1 d . . .
N3 N 0.4250(4) 0.5350(3) 0.50005(16) 0.0287(8) Uani 1 1 d . . .
N4 N 0.6163(4) 0.5956(3) 0.35723(16) 0.0299(9) Uani 1 1 d . . .
N5 N 0.7099(4) 0.5234(3) 0.45928(17) 0.0304(8) Uani 1 1 d . . .
C1 C 0.3738(5) 0.4315(4) 0.3646(2) 0.0325(10) Uani 1 1 d . . .
H1A H 0.3169 0.3688 0.3714 0.039 Uiso 1 1 calc R . .
H1B H 0.4123 0.4290 0.3251 0.039 Uiso 1 1 calc R . .
C2 C 0.2760(5) 0.5221(4) 0.3709(2) 0.0283(9) Uani 1 1 d . . .
C3 C 0.1366(5) 0.5276(5) 0.3490(2) 0.0384(11) Uani 1 1 d . . .
H3 H 0.0943 0.4700 0.3312 0.046 Uiso 1 1 calc R . .
C4 C 0.0587(5) 0.6165(4) 0.3530(2) 0.0389(12) Uani 1 1 d . . .
H4 H -0.0370 0.6206 0.3377 0.047 Uiso 1 1 calc R . .
C5 C 0.1204(6) 0.6997(4) 0.3794(2) 0.0383(12) Uani 1 1 d . . .
H5 H 0.0689 0.7621 0.3817 0.046 Uiso 1 1 calc R . .
C6 C 0.2586(5) 0.6904(4) 0.4025(2) 0.0332(10) Uani 1 1 d . . .
H6 H 0.2996 0.7464 0.4224 0.040 Uiso 1 1 calc R . .
C7 C 0.4694(6) 0.3704(4) 0.4579(2) 0.0362(11) Uani 1 1 d . . .
H7A H 0.4024 0.3144 0.4476 0.043 Uiso 1 1 calc R . .
H7B H 0.5619 0.3404 0.4715 0.043 Uiso 1 1 calc R . .
C8 C 0.4031(5) 0.4334(4) 0.5039(2) 0.0335(10) Uani 1 1 d . . .
C9 C 0.3231(6) 0.3933(5) 0.5473(2) 0.0414(13) Uani 1 1 d . . .
H9 H 0.3052 0.3223 0.5484 0.050 Uiso 1 1 calc R . .
C10 C 0.2675(6) 0.4550(5) 0.5899(2) 0.0442(14) Uani 1 1 d . . .
H10 H 0.2155 0.4268 0.6212 0.053 Uiso 1 1 calc R . .
C11 C 0.2891(5) 0.5578(5) 0.5859(2) 0.0417(13) Uani 1 1 d . . .
H11 H 0.2509 0.6019 0.6142 0.050 Uiso 1 1 calc R . .
C12 C 0.3668(5) 0.5966(4) 0.5403(2) 0.0344(11) Uani 1 1 d . . .
H12 H 0.3795 0.6679 0.5371 0.041 Uiso 1 1 calc R . .
C13 C 0.6463(5) 0.4207(4) 0.3791(2) 0.0323(10) Uani 1 1 d . . .
H13 H 0.6587 0.3517 0.3619 0.039 Uiso 1 1 calc R . .
C14 C 0.6646(5) 0.5054(4) 0.33595(19) 0.0296(10) Uani 1 1 d . . .
C15 C 0.7328(6) 0.4991(5) 0.2833(2) 0.0387(12) Uani 1 1 d . . .
H15 H 0.7682 0.4363 0.2691 0.046 Uiso 1 1 calc R . .
C16 C 0.7477(5) 0.5889(5) 0.2518(2) 0.0383(12) Uani 1 1 d . . .
H16 H 0.7938 0.5877 0.2154 0.046 Uiso 1 1 calc R . .
C17 C 0.6951(6) 0.6794(5) 0.2738(2) 0.0428(13) Uani 1 1 d . . .
H17 H 0.7049 0.7404 0.2525 0.051 Uiso 1 1 calc R . .
C18 C 0.6287(5) 0.6810(4) 0.3265(2) 0.0351(11) Uani 1 1 d . . .
H18 H 0.5915 0.7430 0.3412 0.042 Uiso 1 1 calc R . .
C19 C 0.7546(5) 0.4422(4) 0.4278(2) 0.0365(11) Uani 1 1 d . . .
C20 C 0.8828(5) 0.3923(4) 0.4382(2) 0.0383(11) Uani 1 1 d . . .
H20 H 0.9129 0.3376 0.4146 0.046 Uiso 1 1 calc R . .
C21 C 0.9684(6) 0.4233(5) 0.4842(2) 0.0422(12) Uani 1 1 d . . .
H21 H 1.0569 0.3892 0.4930 0.051 Uiso 1 1 calc R . .
C22 C 0.9227(6) 0.5033(5) 0.5163(3) 0.0465(14) Uani 1 1 d . . .
H22 H 0.9797 0.5260 0.5477 0.056 Uiso 1 1 calc R . .
C23 C 0.7932(5) 0.5517(4) 0.5032(2) 0.0360(11) Uani 1 1 d . . .
H23 H 0.7625 0.6071 0.5263 0.043 Uiso 1 1 calc R . .
O1 O 0.6547(5) 0.5394(3) 0.62774(18) 0.0522(10) Uani 1 1 d . . .
H01A H 0.6553 0.4776 0.6193 0.063 Uiso 1 1 d R . .
H01B H 0.5708 0.5589 0.6368 0.063 Uiso 1 1 d R . .
O2 O 0.4171(5) 0.8834(3) 0.32931(18) 0.0533(11) Uani 1 1 d . . .
H2A H 0.3918 0.9273 0.3537 0.064 Uiso 1 1 d R . .
H2B H 0.4615 0.9107 0.3019 0.064 Uiso 1 1 d R . .
O3 O 0.3519(5) 0.4812(4) 0.2272(2) 0.0545(12) Uani 1 1 d . . .
H3A H 0.354(10) 0.530(6) 0.233(4) 0.065 Uiso 1 1 d . . .
O4 O 0.4394(6) 0.6018(4) 0.7090(2) 0.0676(14) Uani 1 1 d . . .
H4A H 0.4694 0.5422 0.7106 0.081 Uiso 1 1 d R . .
H4B H 0.3494 0.6057 0.7109 0.081 Uiso 1 1 d R . .
O5 O 0.4995(5) 0.1910(4) 0.3739(2) 0.0636(13) Uani 1 1 d . . .
O6 O 0.0175(6) 0.7863(4) 0.1963(2) 0.0720(14) Uani 1 1 d . . .
H6A H 0.0977 0.7548 0.1981 0.086 Uiso 1 1 d R . .
H6B H -0.0307 0.7648 0.1680 0.086 Uiso 1 1 d 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 N3 1.927(4) . ?
Co1 N2 1.942(4) . ?
Co1 N4 1.945(4) . ?
Co1 N5 1.947(4) . ?
Co1 N1 1.957(4) . ?
Co1 Cl1 2.2350(16) . ?
N1 C1 1.497(6) . ?
N1 C13 1.512(6) . ?
N1 C7 1.515(6) . ?
N2 C6 1.335(6) . ?
N2 C2 1.373(6) . ?
N3 C12 1.353(6) . ?
N3 C8 1.356(7) . ?
N4 C18 1.340(7) . ?
N4 C14 1.363(6) . ?
N5 C23 1.334(6) . ?
N5 C19 1.362(6) . ?
C1 C2 1.500(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.380(7) . ?
C3 C4 1.374(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.384(7) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.490(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.360(7) . ?
C9 C10 1.383(8) . ?
C9 H9 0.9500 . ?
C10 C11 1.372(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.381(7) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.514(7) . ?
C13 C19 1.539(7) . ?
C13 H13 1.0000 . ?
C14 C15 1.383(7) . ?
C15 C16 1.400(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.386(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.375(8) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.368(7) . ?
C20 C21 1.393(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.361(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.383(7) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
O1 H01A 0.8372 . ?
O1 H01B 0.8385 . ?
O2 H2A 0.8447 . ?
O2 H2B 0.8414 . ?
O3 H3A 0.66(7) . ?
O4 H4A 0.8327 . ?
O4 H4B 0.8289 . ?
O6 H6A 0.8461 . ?
O6 H6B 0.8445 . ?

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
N3 Co1 N2 88.24(16) . . ?
N3 Co1 N4 170.32(18) . . ?
N2 Co1 N4 89.80(16) . . ?
N3 Co1 N5 91.95(17) . . ?
N2 Co1 N5 169.65(17) . . ?
N4 Co1 N5 88.28(17) . . ?
N3 Co1 N1 85.86(17) . . ?
N2 Co1 N1 86.98(16) . . ?
N4 Co1 N1 84.57(17) . . ?
N5 Co1 N1 82.71(17) . . ?
N3 Co1 Cl1 95.70(13) . . ?
N2 Co1 Cl1 97.07(12) . . ?
N4 Co1 Cl1 93.95(13) . . ?
N5 Co1 Cl1 93.21(13) . . ?
N1 Co1 Cl1 175.69(12) . . ?
C1 N1 C13 114.3(4) . . ?
C1 N1 C7 111.3(4) . . ?
C13 N1 C7 114.4(4) . . ?
C1 N1 Co1 109.3(3) . . ?
C13 N1 Co1 98.1(3) . . ?
C7 N1 Co1 108.4(3) . . ?
C6 N2 C2 119.8(4) . . ?
C6 N2 Co1 127.1(3) . . ?
C2 N2 Co1 112.8(3) . . ?
C12 N3 C8 119.1(4) . . ?
C12 N3 Co1 126.7(4) . . ?
C8 N3 Co1 113.9(3) . . ?
C18 N4 C14 120.5(4) . . ?
C18 N4 Co1 128.8(4) . . ?
C14 N4 Co1 110.6(3) . . ?
C23 N5 C19 117.6(4) . . ?
C23 N5 Co1 131.1(4) . . ?
C19 N5 Co1 111.3(3) . . ?
N1 C1 C2 111.1(4) . . ?
N1 C1 H1A 109.4 . . ?
C2 C1 H1A 109.4 . . ?
N1 C1 H1B 109.4 . . ?
C2 C1 H1B 109.4 . . ?
H1A C1 H1B 108.0 . . ?
N2 C2 C3 119.9(5) . . ?
N2 C2 C1 116.0(4) . . ?
C3 C2 C1 124.0(5) . . ?
C4 C3 C2 120.1(5) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 119.6(5) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 118.7(5) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
N2 C6 C5 121.9(5) . . ?
N2 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
C8 C7 N1 109.5(4) . . ?
C8 C7 H7A 109.8 . . ?
N1 C7 H7A 109.8 . . ?
C8 C7 H7B 109.8 . . ?
N1 C7 H7B 109.8 . . ?
H7A C7 H7B 108.2 . . ?
N3 C8 C9 120.9(5) . . ?
N3 C8 C7 116.1(4) . . ?
C9 C8 C7 123.0(5) . . ?
C8 C9 C10 120.6(6) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C11 C10 C9 118.5(5) . . ?
C11 C10 H10 120.8 . . ?
C9 C10 H10 120.8 . . ?
C10 C11 C12 119.6(5) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
N3 C12 C11 121.3(5) . . ?
N3 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
N1 C13 C14 106.1(4) . . ?
N1 C13 C19 104.3(4) . . ?
C14 C13 C19 106.7(4) . . ?
N1 C13 H13 113.0 . . ?
C14 C13 H13 113.0 . . ?
C19 C13 H13 113.0 . . ?
N4 C14 C15 121.6(5) . . ?
N4 C14 C13 111.3(4) . . ?
C15 C14 C13 126.8(5) . . ?
C14 C15 C16 117.5(5) . . ?
C14 C15 H15 121.2 . . ?
C16 C15 H15 121.2 . . ?
C17 C16 C15 119.8(5) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C18 C17 C16 120.0(5) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
N4 C18 C17 120.4(5) . . ?
N4 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
N5 C19 C20 122.6(5) . . ?
N5 C19 C13 110.5(4) . . ?
C20 C19 C13 126.8(5) . . ?
C19 C20 C21 118.8(5) . . ?
C19 C20 H20 120.6 . . ?
C21 C20 H20 120.6 . . ?
C22 C21 C20 118.6(5) . . ?
C22 C21 H21 120.7 . . ?
C20 C21 H21 120.7 . . ?
C21 C22 C23 120.0(5) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
N5 C23 C22 122.3(5) . . ?
N5 C23 H23 118.8 . . ?
C22 C23 H23 118.8 . . ?
H01A O1 H01B 111.3 . . ?
H2A O2 H2B 110.7 . . ?
H4A O4 H4B 112.6 . . ?
H6A O6 H6B 109.3 . . ?

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
N3 Co1 N1 C1 101.6(3) . . . . ?
N2 Co1 N1 C1 13.1(3) . . . . ?
N4 Co1 N1 C1 -77.0(3) . . . . ?
N5 Co1 N1 C1 -165.9(3) . . . . ?
Cl1 Co1 N1 C1 -147.1(15) . . . . ?
N3 Co1 N1 C13 -139.1(3) . . . . ?
N2 Co1 N1 C13 132.5(3) . . . . ?
N4 Co1 N1 C13 42.4(3) . . . . ?
N5 Co1 N1 C13 -46.6(3) . . . . ?
Cl1 Co1 N1 C13 -27.7(18) . . . . ?
N3 Co1 N1 C7 -19.9(3) . . . . ?
N2 Co1 N1 C7 -108.4(3) . . . . ?
N4 Co1 N1 C7 161.6(3) . . . . ?
N5 Co1 N1 C7 72.6(3) . . . . ?
Cl1 Co1 N1 C7 91.5(16) . . . . ?
N3 Co1 N2 C6 85.2(4) . . . . ?
N4 Co1 N2 C6 -104.3(4) . . . . ?
N5 Co1 N2 C6 176.5(8) . . . . ?
N1 Co1 N2 C6 171.2(4) . . . . ?
Cl1 Co1 N2 C6 -10.3(4) . . . . ?
N3 Co1 N2 C2 -88.6(3) . . . . ?
N4 Co1 N2 C2 81.9(3) . . . . ?
N5 Co1 N2 C2 2.7(11) . . . . ?
N1 Co1 N2 C2 -2.6(3) . . . . ?
Cl1 Co1 N2 C2 175.9(3) . . . . ?
N2 Co1 N3 C12 -77.9(4) . . . . ?
N4 Co1 N3 C12 -156.3(9) . . . . ?
N5 Co1 N3 C12 112.5(4) . . . . ?
N1 Co1 N3 C12 -165.0(4) . . . . ?
Cl1 Co1 N3 C12 19.0(4) . . . . ?
N2 Co1 N3 C8 96.2(3) . . . . ?
N4 Co1 N3 C8 17.8(12) . . . . ?
N5 Co1 N3 C8 -73.4(3) . . . . ?
N1 Co1 N3 C8 9.1(3) . . . . ?
Cl1 Co1 N3 C8 -166.8(3) . . . . ?
N3 Co1 N4 C18 145.4(9) . . . . ?
N2 Co1 N4 C18 67.2(4) . . . . ?
N5 Co1 N4 C18 -123.0(4) . . . . ?
N1 Co1 N4 C18 154.1(4) . . . . ?
Cl1 Co1 N4 C18 -29.9(4) . . . . ?
N3 Co1 N4 C14 -31.2(12) . . . . ?
N2 Co1 N4 C14 -109.5(3) . . . . ?
N5 Co1 N4 C14 60.3(3) . . . . ?
N1 Co1 N4 C14 -22.5(3) . . . . ?
Cl1 Co1 N4 C14 153.4(3) . . . . ?
N3 Co1 N5 C23 -65.5(5) . . . . ?
N2 Co1 N5 C23 -156.4(8) . . . . ?
N4 Co1 N5 C23 124.2(5) . . . . ?
N1 Co1 N5 C23 -151.0(5) . . . . ?
Cl1 Co1 N5 C23 30.4(5) . . . . ?
N3 Co1 N5 C19 112.7(4) . . . . ?
N2 Co1 N5 C19 21.8(11) . . . . ?
N4 Co1 N5 C19 -57.6(4) . . . . ?
N1 Co1 N5 C19 27.1(3) . . . . ?
Cl1 Co1 N5 C19 -151.5(3) . . . . ?
C13 N1 C1 C2 -129.2(4) . . . . ?
C7 N1 C1 C2 99.3(5) . . . . ?
Co1 N1 C1 C2 -20.4(5) . . . . ?
C6 N2 C2 C3 0.2(7) . . . . ?
Co1 N2 C2 C3 174.5(4) . . . . ?
C6 N2 C2 C1 176.7(4) . . . . ?
Co1 N2 C2 C1 -9.0(5) . . . . ?
N1 C1 C2 N2 19.8(6) . . . . ?
N1 C1 C2 C3 -163.9(5) . . . . ?
N2 C2 C3 C4 1.2(8) . . . . ?
C1 C2 C3 C4 -175.0(5) . . . . ?
C2 C3 C4 C5 -0.5(8) . . . . ?
C3 C4 C5 C6 -1.6(9) . . . . ?
C2 N2 C6 C5 -2.4(7) . . . . ?
Co1 N2 C6 C5 -175.8(4) . . . . ?
C4 C5 C6 N2 3.1(8) . . . . ?
C1 N1 C7 C8 -93.8(5) . . . . ?
C13 N1 C7 C8 134.8(4) . . . . ?
Co1 N1 C7 C8 26.5(5) . . . . ?
C12 N3 C8 C9 0.4(7) . . . . ?
Co1 N3 C8 C9 -174.2(4) . . . . ?
C12 N3 C8 C7 179.5(4) . . . . ?
Co1 N3 C8 C7 4.9(5) . . . . ?
N1 C7 C8 N3 -21.0(6) . . . . ?
N1 C7 C8 C9 158.0(4) . . . . ?
N3 C8 C9 C10 -2.8(8) . . . . ?
C7 C8 C9 C10 178.2(5) . . . . ?
C8 C9 C10 C11 3.0(8) . . . . ?
C9 C10 C11 C12 -0.9(8) . . . . ?
C8 N3 C12 C11 1.8(7) . . . . ?
Co1 N3 C12 C11 175.6(4) . . . . ?
C10 C11 C12 N3 -1.5(8) . . . . ?
C1 N1 C13 C14 60.6(5) . . . . ?
C7 N1 C13 C14 -169.5(4) . . . . ?
Co1 N1 C13 C14 -55.0(4) . . . . ?
C1 N1 C13 C19 173.0(4) . . . . ?
C7 N1 C13 C19 -57.1(5) . . . . ?
Co1 N1 C13 C19 57.5(4) . . . . ?
C18 N4 C14 C15 2.5(7) . . . . ?
Co1 N4 C14 C15 179.5(4) . . . . ?
C18 N4 C14 C13 177.1(4) . . . . ?
Co1 N4 C14 C13 -5.9(5) . . . . ?
N1 C13 C14 N4 42.2(5) . . . . ?
C19 C13 C14 N4 -68.6(5) . . . . ?
N1 C13 C14 C15 -143.5(5) . . . . ?
C19 C13 C14 C15 105.7(6) . . . . ?
N4 C14 C15 C16 -1.4(7) . . . . ?
C13 C14 C15 C16 -175.1(5) . . . . ?
C14 C15 C16 C17 0.1(7) . . . . ?
C15 C16 C17 C18 0.1(8) . . . . ?
C14 N4 C18 C17 -2.3(7) . . . . ?
Co1 N4 C18 C17 -178.6(4) . . . . ?
C16 C17 C18 N4 1.0(8) . . . . ?
C23 N5 C19 C20 -2.6(8) . . . . ?
Co1 N5 C19 C20 178.9(4) . . . . ?
C23 N5 C19 C13 -179.8(4) . . . . ?
Co1 N5 C19 C13 1.8(5) . . . . ?
N1 C13 C19 N5 -40.6(5) . . . . ?
C14 C13 C19 N5 71.4(5) . . . . ?
N1 C13 C19 C20 142.4(5) . . . . ?
C14 C13 C19 C20 -105.6(6) . . . . ?
N5 C19 C20 C21 2.5(8) . . . . ?
C13 C19 C20 C21 179.2(5) . . . . ?
C19 C20 C21 C22 -1.4(8) . . . . ?
C20 C21 C22 C23 0.4(9) . . . . ?
C19 N5 C23 C22 1.6(8) . . . . ?
Co1 N5 C23 C22 179.7(4) . . . . ?
C21 C22 C23 N5 -0.6(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        29.02
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.289
_refine_diff_density_min         -0.831
_refine_diff_density_rms         0.107
_database_code_depnum_ccdc_archive 'CCDC 987076'
