# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_exp_1102
_database_code_depnum_ccdc_archive 'CCDC 1478576'
_audit_update_record             
;
2018-02-01 deposited with the CCDC.
2018-04-17 downloaded from the CCDC.
;
_audit_creation_date             2015-12-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C32 H32 Co N8 O6, 2(H2 O)'
_chemical_formula_sum            'C32 H36 Co N8 O8'
_chemical_formula_weight         719.62
_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                   8.6876(6)
_cell_length_b                   8.8285(6)
_cell_length_c                   11.1967(5)
_cell_angle_alpha                74.149(5)
_cell_angle_beta                 89.728(5)
_cell_angle_gamma                78.065(6)
_cell_volume                     807.04(9)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3965
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.9390
_cell_measurement_theta_min      3.1320
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.597
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92455
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             375
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_av_unetI/netI     0.0321
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.868
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10791
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.868
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.138
_diffrn_reflns_theta_min         2.975
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1213
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.868
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -12.00   26.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       17.8866   77.0000  120.0000 38

#__ type_ start__ end____ width___ exp.time_
  2 omega  -47.00    9.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       17.8866  -57.0000 -150.0000 56

#__ type_ start__ end____ width___ exp.time_
  3 omega  -27.00   44.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       17.8866  -37.0000   90.0000 71

#__ type_ start__ end____ width___ exp.time_
  4 omega  -24.00   58.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       17.8866  -99.0000    0.0000 82

#__ type_ start__ end____ width___ exp.time_
  5 omega  -24.00    6.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       17.8866   19.0000  -60.0000 30

#__ type_ start__ end____ width___ exp.time_
  6 omega   42.00   91.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       17.8866   19.0000  -60.0000 49

#__ type_ start__ end____ width___ exp.time_
  7 omega  -25.00   23.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.6679  -99.0000 -150.0000 48

#__ type_ start__ end____ width___ exp.time_
  8 omega   -4.00   87.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       17.8866   57.0000  150.0000 91

#__ type_ start__ end____ width___ exp.time_
  9 omega  -51.00   38.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       17.8866  -57.0000   30.0000 89

#__ type_ start__ end____ width___ exp.time_
 10 omega   35.00   86.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       17.8866  178.0000  -30.0000 51

#__ type_ start__ end____ width___ exp.time_
 11 omega  -25.00   23.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.6679  -99.0000  -30.0000 48
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0540584000
_diffrn_orient_matrix_UB_12      0.0481368000
_diffrn_orient_matrix_UB_13      0.0057532000
_diffrn_orient_matrix_UB_21      0.0035239000
_diffrn_orient_matrix_UB_22      -0.0317492000
_diffrn_orient_matrix_UB_23      0.0655935000
_diffrn_orient_matrix_UB_31      0.0636402000
_diffrn_orient_matrix_UB_32      -0.0631163000
_diffrn_orient_matrix_UB_33      -0.0037581000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3299
_reflns_number_total             3768
_reflns_odcompleteness_completeness 99.88
_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, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_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    'ShelXT (Sheldrick, 2008)'
_refine_diff_density_max         0.257
_refine_diff_density_min         -0.288
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         3768
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0348
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0365P)²+0.1974P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0862
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H00A(0.056) H00J(0.066) H00Q(0.066) H008(0.042) H00E(0.035)
 H00F(0.044) H00C(0.043) H00D(0.043) H00I(0.043) H00G(0.05) H00H(0.05)
 H00K(0.049) H00L(0.056) H00M(0.059) H00N(0.078) H00O(0.071) H00P(0.079)
 Fixed X: Co01(0.5) H00A(0.7785) H00J(1.0049) H00Q(0.9253) H008(-0.0881)
 H00E(0.2853) H00F(0.5284) H00C(0.3238) H00D(0.2631) H00I(0.2516) H00G(0.5828)
 H00H(0.527) H00K(0.4324) H00L(0.0174) H00M(-0.2401) H00N(-0.2988) H00O(-
 0.1112) H00P(-0.3651)
 Fixed Y: Co01(0) H00A(0.0356) H00J(-0.0565) H00Q(-0.178) H008(0.7524)
 H00E(0.2421) H00F(0.3234) H00C(-0.1141) H00D(0.0721) H00I(0.6946) H00G(-
 0.0847) H00H(0.1033) H00K(0.5955) H00L(0.23) H00M(0.675) H00N(0.3126)
 H00O(0.1371) H00P(0.5797)
 Fixed Z: Co01(0.5) H00A(0.5102) H00J(0.2883) H00Q(0.29) H008(0.7024)
 H00E(0.6062) H00F(0.3117) H00C(0.1265) H00D(0.0729) H00I(0.3973) H00G(0.1154)
 H00H(0.0709) H00K(0.2694) H00L(0.9044) H00M(0.8628) H00N(1.1508) H00O(1.0812)
 H00P(1.0412)
;
_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
Co01 Co 0.5000 0.0000 0.5000 0.02570(10) Uani 1 2 d S T P . .
O002 O 0.45690(13) 0.00500(15) 0.31460(10) 0.0347(3) Uani 1 1 d . . . . .
O003 O 0.19835(14) 0.02213(15) 0.30043(11) 0.0364(3) Uani 1 1 d . . . . .
O004 O 0.72083(15) 0.04422(16) 0.44600(12) 0.0375(3) Uani 1 1 d . . . . .
H00A H 0.7785 0.0356 0.5102 0.056 Uiso 1 1 d GR . . . .
O005 O 0.91459(15) -0.07803(16) 0.28294(14) 0.0439(3) Uani 1 1 d . . . . .
H00J H 1.0049 -0.0565 0.2883 0.066 Uiso 1 1 d G . . . .
H00Q H 0.9253 -0.1780 0.2900 0.066 Uiso 1 1 d G . . . .
N006 N 0.41572(16) 0.25593(17) 0.46234(13) 0.0300(3) Uani 1 1 d . . . . .
O007 N 0.08590(16) 0.42249(17) 0.70051(13) 0.0313(3) Uani 1 1 d . . . . .
N008 N -0.02840(17) 0.67119(17) 0.68544(14) 0.0352(3) Uani 1 1 d . . . . .
H008 H -0.0881 0.7524 0.7024 0.042 Uiso 1 1 calc R . . . .
O009 N 0.06525(17) 0.68148(17) 0.58749(14) 0.0357(3) Uani 1 1 d . . . . .
C00A C 0.33377(19) 0.00683(19) 0.25705(14) 0.0268(3) Uani 1 1 d . . . . .
C00B C 0.24636(18) 0.4766(2) 0.51579(15) 0.0282(3) Uani 1 1 d . . . . .
C00C C 0.13227(19) 0.5283(2) 0.60129(16) 0.0297(3) Uani 1 1 d . . . . .
C00D C -0.01540(19) 0.5173(2) 0.75225(15) 0.0305(4) Uani 1 1 d . . . . .
C00E C 0.31325(19) 0.3145(2) 0.53656(15) 0.0295(3) Uani 1 1 d . . . . .
H00E H 0.2853 0.2421 0.6062 0.035 Uiso 1 1 calc R . . . .
C00F C 0.4572(2) 0.3619(2) 0.36439(16) 0.0363(4) Uani 1 1 d . . . . .
H00F H 0.5284 0.3234 0.3117 0.044 Uiso 1 1 calc R . . . .
C00G C -0.0978(2) 0.4624(2) 0.86453(16) 0.0343(4) Uani 1 1 d . . . . .
C00H C 0.3452(2) -0.0102(2) 0.12567(15) 0.0359(4) Uani 1 1 d . . . . .
H00C H 0.3238 -0.1141 0.1265 0.043 Uiso 1 1 calc R . . . .
H00D H 0.2631 0.0721 0.0729 0.043 Uiso 1 1 calc R . . . .
C00I C 0.2924(2) 0.5844(2) 0.41393(17) 0.0358(4) Uani 1 1 d . . . . .
H00I H 0.2516 0.6946 0.3973 0.043 Uiso 1 1 calc R . . . .
C00J C 0.5010(2) 0.0029(3) 0.06740(16) 0.0415(5) Uani 1 1 d . . . . .
H00G H 0.5828 -0.0847 0.1154 0.050 Uiso 1 1 calc R . . . .
H00H H 0.5270 0.1033 0.0709 0.050 Uiso 1 1 calc R . . . .
C00K C 0.3994(2) 0.5254(2) 0.33798(17) 0.0404(4) Uani 1 1 d . . . . .
H00K H 0.4324 0.5955 0.2694 0.049 Uiso 1 1 calc R . . . .
C00L C -0.0600(3) 0.3012(3) 0.93130(18) 0.0466(5) Uani 1 1 d . . . . .
H00L H 0.0174 0.2300 0.9044 0.056 Uiso 1 1 calc R . . . .
C00M C -0.2131(2) 0.5665(3) 0.9066(2) 0.0495(5) Uani 1 1 d . . . . .
H00M H -0.2401 0.6750 0.8628 0.059 Uiso 1 1 calc R . . . .
C00N C -0.2487(3) 0.3501(4) 1.0784(2) 0.0651(7) Uani 1 1 d . . . . .
H00N H -0.2988 0.3126 1.1508 0.078 Uiso 1 1 calc R . . . .
C00O C -0.1363(3) 0.2457(3) 1.0374(2) 0.0592(6) Uani 1 1 d . . . . .
H00O H -0.1112 0.1371 1.0812 0.071 Uiso 1 1 calc R . . . .
C00P C -0.2878(3) 0.5094(4) 1.0133(2) 0.0658(7) Uani 1 1 d . . . . .
H00P H -0.3651 0.5797 1.0412 0.079 Uiso 1 1 calc R . . . .
H00B H 0.778(3) 0.008(3) 0.397(2) 0.060(7) Uiso 1 1 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
Co01 O002 2.0981(11) . ?
Co01 O002 2.0981(11) 2_656 ?
Co01 O004 2.0901(13) . ?
Co01 O004 2.0901(13) 2_656 ?
Co01 N006 2.1488(14) . ?
Co01 N006 2.1488(14) 2_656 ?
O002 C00A 1.2463(19) . ?
O003 C00A 1.266(2) . ?
O004 H00A 0.8548 . ?
O004 H00B 0.83(2) . ?
O005 H00J 0.8506 . ?
O005 H00Q 0.8501 . ?
N006 C00E 1.337(2) . ?
N006 C00F 1.335(2) . ?
O007 C00C 1.361(2) . ?
O007 C00D 1.329(2) . ?
N008 H008 0.8600 . ?
N008 O009 1.357(2) . ?
N008 C00D 1.341(2) . ?
O009 C00C 1.324(2) . ?
C00A C00H 1.520(2) . ?
C00B C00C 1.466(2) . ?
C00B C00E 1.384(2) . ?
C00B C00I 1.388(2) . ?
C00D C00G 1.459(2) . ?
C00E H00E 0.9300 . ?
C00F H00F 0.9300 . ?
C00F C00K 1.376(3) . ?
C00G C00L 1.386(3) . ?
C00G C00M 1.386(3) . ?
C00H H00C 0.9700 . ?
C00H H00D 0.9700 . ?
C00H C00J 1.512(2) . ?
C00I H00I 0.9300 . ?
C00I C00K 1.376(3) . ?
C00J C00J 1.524(3) 2_655 ?
C00J H00G 0.9700 . ?
C00J H00H 0.9700 . ?
C00K H00K 0.9300 . ?
C00L H00L 0.9300 . ?
C00L C00O 1.378(3) . ?
C00M H00M 0.9300 . ?
C00M C00P 1.379(3) . ?
C00N H00N 0.9300 . ?
C00N C00O 1.367(3) . ?
C00N C00P 1.368(4) . ?
C00O H00O 0.9300 . ?
C00P H00P 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
O002 Co01 O002 180.0 2_656 . ?
O002 Co01 N006 87.32(5) 2_656 . ?
O002 Co01 N006 92.68(5) . . ?
O002 Co01 N006 92.68(5) 2_656 2_656 ?
O002 Co01 N006 87.32(5) . 2_656 ?
O004 Co01 O002 86.15(5) . . ?
O004 Co01 O002 86.14(5) 2_656 2_656 ?
O004 Co01 O002 93.85(5) 2_656 . ?
O004 Co01 O002 93.85(5) . 2_656 ?
O004 Co01 O004 180.0 . 2_656 ?
O004 Co01 N006 88.09(5) 2_656 2_656 ?
O004 Co01 N006 88.09(5) . . ?
O004 Co01 N006 91.91(5) . 2_656 ?
O004 Co01 N006 91.91(5) 2_656 . ?
N006 Co01 N006 180.0 2_656 . ?
C00A O002 Co01 131.20(10) . . ?
Co01 O004 H00A 109.7 . . ?
Co01 O004 H00B 127.9(17) . . ?
H00A O004 H00B 107.8 . . ?
H00J O005 H00Q 109.4 . . ?
C00E N006 Co01 119.80(11) . . ?
C00F N006 Co01 122.88(11) . . ?
C00F N006 C00E 117.29(14) . . ?
C00D O007 C00C 103.32(14) . . ?
O009 N008 H008 124.5 . . ?
C00D N008 H008 124.5 . . ?
C00D N008 O009 110.95(13) . . ?
C00C O009 N008 101.93(14) . . ?
O002 C00A O003 124.49(14) . . ?
O002 C00A C00H 118.37(14) . . ?
O003 C00A C00H 117.15(14) . . ?
C00E C00B C00C 119.58(15) . . ?
C00E C00B C00I 117.80(15) . . ?
C00I C00B C00C 122.62(15) . . ?
O007 C00C C00B 122.67(14) . . ?
O009 C00C O007 114.71(14) . . ?
O009 C00C C00B 122.62(16) . . ?
O007 C00D N008 109.10(15) . . ?
O007 C00D C00G 125.25(16) . . ?
N008 C00D C00G 125.65(15) . . ?
N006 C00E C00B 123.79(16) . . ?
N006 C00E H00E 118.1 . . ?
C00B C00E H00E 118.1 . . ?
N006 C00F H00F 118.5 . . ?
N006 C00F C00K 122.92(16) . . ?
C00K C00F H00F 118.5 . . ?
C00L C00G C00D 119.14(16) . . ?
C00L C00G C00M 118.81(18) . . ?
C00M C00G C00D 122.04(18) . . ?
C00A C00H H00C 108.3 . . ?
C00A C00H H00D 108.3 . . ?
H00C C00H H00D 107.4 . . ?
C00J C00H C00A 115.99(14) . . ?
C00J C00H H00C 108.3 . . ?
C00J C00H H00D 108.3 . . ?
C00B C00I H00I 120.6 . . ?
C00K C00I C00B 118.80(16) . . ?
C00K C00I H00I 120.6 . . ?
C00H C00J C00J 112.74(19) . 2_655 ?
C00H C00J H00G 109.0 . . ?
C00H C00J H00H 109.0 . . ?
C00J C00J H00G 109.0 2_655 . ?
C00J C00J H00H 109.0 2_655 . ?
H00G C00J H00H 107.8 . . ?
C00F C00K C00I 119.37(17) . . ?
C00F C00K H00K 120.3 . . ?
C00I C00K H00K 120.3 . . ?
C00G C00L H00L 119.8 . . ?
C00O C00L C00G 120.4(2) . . ?
C00O C00L H00L 119.8 . . ?
C00G C00M H00M 119.9 . . ?
C00P C00M C00G 120.1(2) . . ?
C00P C00M H00M 119.9 . . ?
C00O C00N H00N 119.9 . . ?
C00O C00N C00P 120.2(2) . . ?
C00P C00N H00N 119.9 . . ?
C00L C00O H00O 119.9 . . ?
C00N C00O C00L 120.1(2) . . ?
C00N C00O H00O 119.9 . . ?
C00M C00P H00P 119.8 . . ?
C00N C00P C00M 120.3(2) . . ?
C00N C00P H00P 119.8 . . ?

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
Co01 O002 C00A O003 7.4(3) . . . . ?
Co01 O002 C00A C00H -172.65(11) . . . . ?
Co01 N006 C00E C00B -176.43(12) . . . . ?
Co01 N006 C00F C00K 177.85(14) . . . . ?
O002 C00A C00H C00J -10.9(2) . . . . ?
O003 C00A C00H C00J 169.02(16) . . . . ?
N006 C00F C00K C00I -0.9(3) . . . . ?
O007 C00D C00G C00L 6.2(3) . . . . ?
O007 C00D C00G C00M -173.71(18) . . . . ?
N008 O009 C00C O007 0.60(19) . . . . ?
N008 O009 C00C C00B -179.91(15) . . . . ?
N008 C00D C00G C00L -173.12(17) . . . . ?
N008 C00D C00G C00M 7.0(3) . . . . ?
O009 N008 C00D O007 -0.22(19) . . . . ?
O009 N008 C00D C00G 179.21(16) . . . . ?
C00A C00H C00J C00J -175.7(2) . . . 2_655 ?
C00B C00I C00K C00F 0.3(3) . . . . ?
C00C O007 C00D N008 0.55(18) . . . . ?
C00C O007 C00D C00G -178.88(16) . . . . ?
C00C C00B C00E N006 178.59(15) . . . . ?
C00C C00B C00I C00K -179.59(17) . . . . ?
C00D O007 C00C O009 -0.74(19) . . . . ?
C00D O007 C00C C00B 179.78(15) . . . . ?
C00D N008 O009 C00C -0.22(18) . . . . ?
C00D C00G C00L C00O -179.71(19) . . . . ?
C00D C00G C00M C00P -179.9(2) . . . . ?
C00E N006 C00F C00K 0.0(3) . . . . ?
C00E C00B C00C O007 -1.3(2) . . . . ?
C00E C00B C00C O009 179.27(16) . . . . ?
C00E C00B C00I C00K 1.0(3) . . . . ?
C00F N006 C00E C00B 1.5(2) . . . . ?
C00G C00L C00O C00N -0.8(4) . . . . ?
C00G C00M C00P C00N 0.0(4) . . . . ?
C00I C00B C00C O007 179.34(16) . . . . ?
C00I C00B C00C O009 -0.1(3) . . . . ?
C00I C00B C00E N006 -2.0(3) . . . . ?
C00L C00G C00M C00P 0.2(3) . . . . ?
C00M C00G C00L C00O 0.2(3) . . . . ?
C00O C00N C00P C00M -0.7(4) . . . . ?
C00P C00N C00O C00L 1.0(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
