# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_23cgc013bt100k
_database_code_depnum_ccdc_archive 'CCDC 2387156'
loop_
_audit_author_name
_audit_author_address
'Manuel Sanchez Andujar'
;Universidade da Coruna
Spain
;
_audit_update_record             
;
2024-09-26 deposited with the CCDC.	2024-11-01 downloaded from the CCDC.
;
_audit_creation_date             2024-03-08
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl4 Co, 2(C3 H10 N O)'
_chemical_formula_sum            'C6 H20 Cl4 Co N2 O2'
_chemical_formula_weight         352.97
_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'
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'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.4749(6)
_cell_length_b                   12.0762(8)
_cell_length_c                   15.0400(10)
_cell_angle_alpha                90
_cell_angle_beta                 100.772(2)
_cell_angle_gamma                90
_cell_volume                     1512.14(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5587
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      35.775
_cell_measurement_theta_min      2.757
_shelx_estimated_absorpt_T_max   0.769
_shelx_estimated_absorpt_T_min   0.706
_exptl_absorpt_coefficient_mu    1.827
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.0744 before and 0.0642 after correction.
 
For component 2:
 wR2(int) was 0.0977 before and 0.0713 after correction.
 The Ratio of minimum to maximum transmission is 0.89.

Final HKLF 4 output contains 121847 reflections, Rint = 0.0593
 (74302 with I > 3sig(I), Rint = 0.0545)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             724
_exptl_crystal_size_max          0.205
_exptl_crystal_size_mid          0.153
_exptl_crystal_size_min          0.152
_exptl_transmission_factor_max   0.758
_exptl_transmission_factor_min   0.722
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7342
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         36.341
_diffrn_reflns_theta_min         2.178
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON-III C14'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6382
_reflns_number_total             7342
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.587
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     144
_refine_ls_number_reflns         7298
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0281
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0177P)²+0.6254P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0572
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C2(H2A,H2B,H2C), C1(H1A,
 H1B,H1C), C3(H3A,H3B,H3C)
2.b Idealised tetrahedral OH refined as rotating group:
 O2(H2), O1(H1)
;
_atom_sites_solution_hydrogens   geom
_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
Co01 Co 0.25477(2) 0.77758(2) 0.60139(2) 0.01091(3) Uani 1 1 d . . . . .
Cl1 Cl 0.27187(3) 0.58696(2) 0.60282(2) 0.01384(4) Uani 1 1 d . . . . .
Cl2 Cl 0.04372(3) 0.82529(2) 0.66970(2) 0.01573(4) Uani 1 1 d . . . . .
Cl3 Cl 0.21098(3) 0.84199(2) 0.45912(2) 0.01841(5) Uani 1 1 d . . . . .
Cl4 Cl 0.48507(3) 0.84323(2) 0.68485(2) 0.01926(5) Uani 1 1 d . . . . .
O2 O 0.62370(8) 0.59158(6) 0.57913(5) 0.01563(13) Uani 1 1 d . . . . .
H2 H 0.528406 0.593255 0.587398 0.023 Uiso 1 1 calc R U . . .
O1 O 0.05836(9) 0.69849(7) 0.84453(6) 0.01895(14) Uani 1 1 d . . . . .
H1 H 0.068161 0.728677 0.795540 0.028 Uiso 1 1 calc R U . . .
N2 N 0.71938(9) 0.52812(6) 0.64914(5) 0.01091(12) Uani 1 1 d . . . . .
N1 N 0.21350(10) 0.67824(7) 0.89759(6) 0.01345(14) Uani 1 1 d . . . . .
C5 C 0.65896(12) 0.41196(8) 0.64405(7) 0.01660(17) Uani 1 1 d . . . . .
H5A H 0.548579 0.410889 0.655048 0.025 Uiso 1 1 calc R U . . .
H5B H 0.727575 0.366915 0.689948 0.025 Uiso 1 1 calc R U . . .
H5C H 0.660998 0.381684 0.583824 0.025 Uiso 1 1 calc R U . . .
C4 C 0.88508(11) 0.53404(9) 0.62891(7) 0.01575(16) Uani 1 1 d . . . . .
H4A H 0.885290 0.502716 0.568817 0.024 Uiso 1 1 calc R U . . .
H4B H 0.958793 0.491789 0.674484 0.024 Uiso 1 1 calc R U . . .
H4C H 0.919921 0.611495 0.630134 0.024 Uiso 1 1 calc R U . . .
C6 C 0.71310(13) 0.57892(10) 0.73903(7) 0.02001(19) Uani 1 1 d . . . . .
H6A H 0.745589 0.656785 0.738822 0.030 Uiso 1 1 calc R U . . .
H6B H 0.786258 0.539097 0.786530 0.030 Uiso 1 1 calc R U . . .
H6C H 0.603330 0.574177 0.750692 0.030 Uiso 1 1 calc R U . . .
C2 C 0.29723(14) 0.59409(9) 0.85094(8) 0.0212(2) Uani 1 1 d . . . . .
H2A H 0.230940 0.527215 0.839952 0.032 Uiso 1 1 calc R U . . .
H2B H 0.400760 0.575603 0.889070 0.032 Uiso 1 1 calc R U . . .
H2C H 0.315146 0.624024 0.793079 0.032 Uiso 1 1 calc R U . . .
C1 C 0.30500(13) 0.78419(8) 0.91072(8) 0.01964(19) Uani 1 1 d . . . . .
H1A H 0.319402 0.812872 0.851805 0.029 Uiso 1 1 calc R U . . .
H1B H 0.410339 0.771064 0.948910 0.029 Uiso 1 1 calc R U . . .
H1C H 0.245433 0.838318 0.940077 0.029 Uiso 1 1 calc R U . . .
C3 C 0.17981(15) 0.63501(11) 0.98492(8) 0.0248(2) Uani 1 1 d . . . . .
H3A H 0.120102 0.690693 1.012602 0.037 Uiso 1 1 calc R U . . .
H3B H 0.281395 0.618759 1.025844 0.037 Uiso 1 1 calc R U . . .
H3C H 0.115791 0.567132 0.973762 0.037 Uiso 1 1 calc R U . . .


_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 Cl1 2.3063(3) . ?
Co01 Cl2 2.2964(3) . ?
Co01 Cl3 2.2415(3) . ?
Co01 Cl4 2.2578(3) . ?
O2 H2 0.8400 . ?
O2 N2 1.4263(10) . ?
O1 H1 0.8400 . ?
O1 N1 1.4258(11) . ?
N2 C5 1.4904(12) . ?
N2 C4 1.4932(12) . ?
N2 C6 1.4946(13) . ?
N1 C2 1.4882(13) . ?
N1 C1 1.4900(13) . ?
N1 C3 1.4898(14) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?

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
Cl2 Co01 Cl1 107.403(10) . . ?
Cl3 Co01 Cl1 110.740(11) . . ?
Cl3 Co01 Cl2 109.645(11) . . ?
Cl3 Co01 Cl4 112.365(12) . . ?
Cl4 Co01 Cl1 107.396(10) . . ?
Cl4 Co01 Cl2 109.140(12) . . ?
N2 O2 H2 109.5 . . ?
N1 O1 H1 109.5 . . ?
O2 N2 C5 108.99(7) . . ?
O2 N2 C4 104.50(7) . . ?
O2 N2 C6 109.62(7) . . ?
C5 N2 C4 111.21(8) . . ?
C5 N2 C6 111.27(8) . . ?
C4 N2 C6 111.01(8) . . ?
O1 N1 C2 108.93(8) . . ?
O1 N1 C1 109.24(8) . . ?
O1 N1 C3 104.18(8) . . ?
C2 N1 C1 111.51(8) . . ?
C3 N1 C2 111.29(9) . . ?
C3 N1 C1 111.39(9) . . ?
N2 C5 H5A 109.5 . . ?
N2 C5 H5B 109.5 . . ?
N2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N2 C4 H4A 109.5 . . ?
N2 C4 H4B 109.5 . . ?
N2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C6 H6A 109.5 . . ?
N2 C6 H6B 109.5 . . ?
N2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C3 H3A 109.5 . . ?
N1 C3 H3B 109.5 . . ?
N1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_23cgc013bt355k
_database_code_depnum_ccdc_archive 'CCDC 2387157'
loop_
_audit_author_name
_audit_author_address
'Manuel Sanchez Andujar'
;Universidade da Coruna
Spain
;
_audit_update_record             
;
2024-09-26 deposited with the CCDC.	2024-11-01 downloaded from the CCDC.
;
_audit_creation_date             2024-03-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl4 Co, C6 N2 O2'
_chemical_formula_sum            'C6 Cl4 Co N2 O2'
_chemical_formula_weight         332.81
_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'
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'
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      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   12.2008(6)
_cell_length_b                   8.7001(4)
_cell_length_c                   15.4434(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1639.29(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9119
_cell_measurement_temperature    355.00
_cell_measurement_theta_max      19.122
_cell_measurement_theta_min      2.638
_shelx_estimated_absorpt_T_max   0.784
_shelx_estimated_absorpt_T_min   0.724
_exptl_absorpt_coefficient_mu    1.682
_exptl_absorpt_correction_T_max  0.7447
_exptl_absorpt_correction_T_min  0.6353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0658 before and 0.0512 after correction.
The Ratio of minimum to maximum transmission is 0.8531.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.205
_exptl_crystal_size_mid          0.153
_exptl_crystal_size_min          0.152
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_unetI/netI     0.0129
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            25655
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        21.965
_diffrn_reflns_theta_max         21.965
_diffrn_reflns_theta_min         2.127
_diffrn_ambient_temperature      355.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON-III C14'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                819
_reflns_number_total             1081
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.807
_refine_diff_density_min         -0.896
_refine_diff_density_rms         0.266
_refine_ls_extinction_coef       0.21(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.594
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     96
_refine_ls_number_reflns         1081
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1534
_refine_ls_R_factor_gt           0.1140
_refine_ls_restrained_S_all      1.594
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3177
_refine_ls_wR_factor_ref         0.3578
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: C2(0.25) C1(0.5) C0(0.5) C5(0.5) O4(0.5) C10(0.5) C3(0.25)
 C4(0.25) C6(0.25)
;
_atom_sites_solution_hydrogens   .
_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
Co01 Co 0.75320(10) 0.250000 0.59210(9) 0.1474(15) Uani 1 2 d S T P . .
Cl02 Cl 0.5705(3) 0.250000 0.5987(4) 0.254(3) Uani 1 2 d S T P . .
Cl1 Cl 0.8168(3) 0.4576(5) 0.6597(3) 0.253(2) Uani 1 1 d . . . . .
Cl Cl 0.8134(4) 0.250000 0.4541(2) 0.243(3) Uani 1 2 d S T P . .
N005 N 0.4815(9) 0.250000 0.3295(7) 0.166(4) Uani 1 2 d S T P . .
N006 N 0.1624(9) 0.250000 0.5924(7) 0.170(4) Uani 1 2 d S T P . .
C2 C 0.099(3) 0.250000 0.516(3) 0.217(12) Uiso 0.5 2 d S . P . .
C1 C 0.501(3) 0.093(3) 0.357(3) 0.27(2) Uani 0.5 1 d . . P A .
C0 C 0.416(3) 0.188(4) 0.399(2) 0.27(2) Uani 0.5 1 d . . P A 2
O7 O 0.418(3) 0.250000 0.260(2) 0.47(2) Uani 1 2 d S T P A 1
C5 C 0.130(5) 0.084(8) 0.599(4) 0.32(2) Uiso 0.5 1 d . . P . .
O4 O 0.272(3) 0.179(4) 0.590(2) 0.32(2) Uiso 0.5 1 d . . P . .
C10 C 0.585(5) 0.175(4) 0.329(3) 0.32(2) Uani 0.5 1 d . . P A .
C3 C 0.089(4) 0.149(5) 0.646(3) 0.166(10) Uiso 0.25 1 d . . P . .
C4 C 0.098(4) 0.250000 0.675(3) 0.239(15) Uiso 0.5 2 d S . P . .
C6 C 0.160(5) 0.122(6) 0.661(3) 0.204(16) Uiso 0.25 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
Co01 Cl02 2.231(4) . ?
Co01 Cl1 2.225(3) . ?
Co01 Cl1 2.225(3) 7_565 ?
Co01 Cl 2.254(4) . ?
N005 C1 1.45(2) 7_565 ?
N005 C1 1.45(2) . ?
N005 C0 1.44(3) 7_565 ?
N005 C0 1.44(3) . ?
N005 O7 1.32(2) . ?
N005 C10 1.42(4) . ?
N005 C10 1.42(4) 7_565 ?
N006 C2 1.42(4) . ?
N006 C5 1.50(7) . ?
N006 C5 1.50(7) 7_565 ?
N006 O4 1.48(4) 7_565 ?
N006 O4 1.48(4) . ?
N006 C3 1.51(4) . ?
N006 C3 1.51(4) 7_565 ?
N006 C4 1.51(5) . ?
N006 C6 1.53(5) . ?
N006 C6 1.53(5) 7_565 ?
C2 C5 1.97(7) 7_565 ?
C2 C5 1.97(7) . ?
C1 C0 1.47(5) . ?
C1 C10 1.33(6) . ?
C0 C0 1.09(7) 7_565 ?
C5 C3 1.04(7) . ?
C5 C4 1.90(7) . ?
C5 C6 1.07(7) . ?
O4 O4 1.23(8) 7_565 ?
O4 C6 1.82(6) . ?
C10 C10 1.31(7) 7_565 ?
C3 C3 1.76(9) 7_565 ?
C3 C4 0.99(4) . ?
C3 C6 0.93(5) . ?
C4 C6 1.37(6) . ?
C4 C6 1.37(6) 7_565 ?

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
Cl02 Co01 Cl 111.6(2) . . ?
Cl1 Co01 Cl02 109.08(14) . . ?
Cl1 Co01 Cl02 109.08(14) 7_565 . ?
Cl1 Co01 Cl1 108.5(3) . 7_565 ?
Cl1 Co01 Cl 109.24(15) . . ?
Cl1 Co01 Cl 109.24(15) 7_565 . ?
C1 N005 C1 141(3) . 7_565 ?
C0 N005 C1 61.0(19) . . ?
C0 N005 C1 103(3) 7_565 . ?
C0 N005 C0 44(3) 7_565 . ?
O7 N005 C1 109.3(16) . 7_565 ?
O7 N005 C1 109.3(16) . . ?
O7 N005 C0 106(3) . 7_565 ?
O7 N005 C10 121(3) . 7_565 ?
O7 N005 C10 121(3) . . ?
C10 N005 C1 55(2) 7_565 7_565 ?
C10 N005 C1 107(3) 7_565 . ?
C10 N005 C1 107(3) . 7_565 ?
C10 N005 C1 55(2) . . ?
C10 N005 C0 109(2) 7_565 7_565 ?
C10 N005 C0 132(3) 7_565 . ?
C10 N005 C0 132(3) . 7_565 ?
C10 N005 C0 109(2) . . ?
C10 N005 C10 55(4) 7_565 . ?
C2 N006 C5 85(2) . . ?
C2 N006 C5 85(2) . 7_565 ?
C2 N006 O4 118.3(19) . 7_565 ?
C2 N006 O4 118.3(18) . . ?
C2 N006 C3 98(2) . 7_565 ?
C2 N006 C3 98(2) . . ?
C2 N006 C4 115(3) . . ?
C2 N006 C6 125(2) . . ?
C2 N006 C6 125(2) . 7_565 ?
C5 N006 C5 148(5) . 7_565 ?
C5 N006 C3 111(4) . 7_565 ?
C5 N006 C3 41(2) . . ?
C5 N006 C3 111(4) 7_565 . ?
C5 N006 C3 41(2) 7_565 7_565 ?
C5 N006 C4 78(3) . . ?
C5 N006 C4 78(3) 7_565 . ?
C5 N006 C6 41(2) . . ?
C5 N006 C6 130(3) . 7_565 ?
C5 N006 C6 41(2) 7_565 7_565 ?
C5 N006 C6 130(3) 7_565 . ?
O4 N006 C5 81(3) 7_565 7_565 ?
O4 N006 C5 130(3) 7_565 . ?
O4 N006 C5 81(3) . . ?
O4 N006 C5 130(3) . 7_565 ?
O4 N006 O4 49(3) . 7_565 ?
O4 N006 C3 143(2) 7_565 . ?
O4 N006 C3 108(2) 7_565 7_565 ?
O4 N006 C3 143(2) . 7_565 ?
O4 N006 C3 108(2) . . ?
O4 N006 C4 120(2) 7_565 . ?
O4 N006 C4 120(2) . . ?
O4 N006 C6 110(2) . 7_565 ?
O4 N006 C6 74(3) . . ?
O4 N006 C6 74(3) 7_565 7_565 ?
O4 N006 C6 110(2) 7_565 . ?
C3 N006 C3 71(4) . 7_565 ?
C3 N006 C6 92(2) 7_565 . ?
C3 N006 C6 92(2) . 7_565 ?
C3 N006 C6 36(2) . . ?
C3 N006 C6 36(2) 7_565 7_565 ?
C4 N006 C3 38.4(17) . . ?
C4 N006 C3 38.4(17) . 7_565 ?
C4 N006 C6 54(2) . . ?
C4 N006 C6 54(2) . 7_565 ?
C6 N006 C6 93(4) . 7_565 ?
N006 C2 C5 49(2) . . ?
N006 C2 C5 49(2) . 7_565 ?
C5 C2 C5 94(4) . 7_565 ?
N005 C1 C0 59.2(18) . . ?
C10 C1 N005 61.4(16) . . ?
C10 C1 C0 113(3) . . ?
N005 C0 C1 59.8(14) . . ?
C0 C0 N005 67.9(15) 7_565 . ?
C0 C0 C1 124.2(16) 7_565 . ?
N006 C5 C2 45.7(19) . . ?
N006 C5 C4 51(3) . . ?
C3 C5 N006 70(4) . . ?
C3 C5 C2 88(5) . . ?
C3 C5 C4 21(3) . . ?
C3 C5 C6 52(4) . . ?
C4 C5 C2 79(3) . . ?
C6 C5 N006 71(5) . . ?
C6 C5 C2 115(6) . . ?
C6 C5 C4 45(5) . . ?
N006 O4 C6 54(2) . . ?
O4 O4 N006 65.4(15) 7_565 . ?
O4 O4 C6 106(2) 7_565 . ?
C1 C10 N005 64(3) . . ?
C10 C10 N005 63(2) 7_565 . ?
C10 C10 C1 122(2) 7_565 . ?
N006 C3 C3 54.3(18) . 7_565 ?
C5 C3 N006 69(4) . . ?
C5 C3 C3 122(4) . 7_565 ?
C4 C3 N006 71(4) . . ?
C4 C3 C5 137(7) . . ?
C4 C3 C3 27(4) . 7_565 ?
C6 C3 N006 74(4) . . ?
C6 C3 C5 65(5) . . ?
C6 C3 C3 104(5) . 7_565 ?
C6 C3 C4 91(6) . . ?
N006 C4 C5 51(2) . . ?
N006 C4 C5 51(2) . 7_565 ?
C5 C4 C5 99(4) . 7_565 ?
C3 C4 N006 71(4) . . ?
C3 C4 N006 71(4) 7_565 . ?
C3 C4 C5 115(5) . 7_565 ?
C3 C4 C5 22(4) 7_565 7_565 ?
C3 C4 C5 115(5) 7_565 . ?
C3 C4 C5 22(4) . . ?
C3 C4 C3 125(7) 7_565 . ?
C3 C4 C6 135(6) 7_565 . ?
C3 C4 C6 135(6) . 7_565 ?
C3 C4 C6 43(3) . . ?
C3 C4 C6 43(3) 7_565 7_565 ?
C6 C4 N006 64(3) 7_565 . ?
C6 C4 N006 64(3) . . ?
C6 C4 C5 33(3) 7_565 7_565 ?
C6 C4 C5 33(3) . . ?
C6 C4 C5 113(4) 7_565 . ?
C6 C4 C5 113(4) . 7_565 ?
C6 C4 C6 109(6) . 7_565 ?
N006 C6 O4 51(2) . . ?
C5 C6 N006 68(5) . . ?
C5 C6 O4 79(5) . . ?
C5 C6 C4 102(7) . . ?
C3 C6 N006 71(5) . . ?
C3 C6 C5 63(5) . . ?
C3 C6 O4 120(6) . . ?
C3 C6 C4 46(4) . . ?
C4 C6 N006 62(3) . . ?
C4 C6 O4 107(4) . . ?

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
N005 C1 C0 C0 -22.8(19) . . . 7_565 ?
N005 C1 C10 C10 22(2) . . . 7_565 ?
N006 C5 C3 C3 11(4) . . . 7_565 ?
N006 C5 C3 C4 -19(9) . . . . ?
N006 C5 C3 C6 -81(5) . . . . ?
N006 C5 C4 C5 17(4) . . . 7_565 ?
N006 C5 C4 C3 156(11) . . . . ?
N006 C5 C4 C3 33(5) . . . 7_565 ?
N006 C5 C4 C6 -103(6) . . . . ?
N006 C5 C4 C6 -14(4) . . . 7_565 ?
N006 C5 C6 O4 -53(2) . . . . ?
N006 C5 C6 C3 79(4) . . . . ?
N006 C5 C6 C4 53(4) . . . . ?
N006 O4 C6 C5 70(5) . . . . ?
N006 O4 C6 C3 20(6) . . . . ?
N006 O4 C6 C4 -29(3) . . . . ?
N006 C3 C4 C5 26(4) . . . 7_565 ?
N006 C3 C4 C5 -19(9) . . . . ?
N006 C3 C4 C3 48(8) . . . 7_565 ?
N006 C3 C4 C6 -7(8) . . . 7_565 ?
N006 C3 C4 C6 -72(4) . . . . ?
N006 C3 C6 C5 -74(4) . . . . ?
N006 C3 C6 O4 -17(5) . . . . ?
N006 C3 C6 C4 69(4) . . . . ?
N006 C4 C6 C5 -57(5) . . . . ?
N006 C4 C6 O4 25(3) . . . . ?
N006 C4 C6 C3 -89(5) . . . . ?
C2 N006 C5 C3 -108(4) . . . . ?
C2 N006 C5 C4 -117(3) . . . . ?
C2 N006 C5 C6 -164(5) . . . . ?
C2 N006 O4 O4 104.3(13) . . . 7_565 ?
C2 N006 O4 C6 -121(2) . . . . ?
C2 N006 C3 C5 73(4) . . . . ?
C2 N006 C3 C3 -95.8(16) . . . 7_565 ?
C2 N006 C3 C4 -121(4) . . . . ?
C2 N006 C3 C6 142(5) . . . . ?
C2 N006 C4 C5 -79(2) . . . 7_565 ?
C2 N006 C4 C5 79(2) . . . . ?
C2 N006 C4 C3 -70(4) . . . 7_565 ?
C2 N006 C4 C3 70(4) . . . . ?
C2 N006 C4 C6 116(3) . . . . ?
C2 N006 C4 C6 -116(3) . . . 7_565 ?
C2 N006 C6 C5 20(7) . . . . ?
C2 N006 C6 O4 114(3) . . . . ?
C2 N006 C6 C3 -48(6) . . . . ?
C2 N006 C6 C4 -98(4) . . . . ?
C2 C5 C3 N006 -42.8(18) . . . . ?
C2 C5 C3 C3 -32(4) . . . 7_565 ?
C2 C5 C3 C4 -62(10) . . . . ?
C2 C5 C3 C6 -124(5) . . . . ?
C2 C5 C4 N006 -40.5(19) . . . . ?
C2 C5 C4 C5 -23(4) . . . 7_565 ?
C2 C5 C4 C3 -8(5) . . . 7_565 ?
C2 C5 C4 C3 116(10) . . . . ?
C2 C5 C4 C6 -143(7) . . . . ?
C2 C5 C4 C6 -55(5) . . . 7_565 ?
C2 C5 C6 N006 -13(4) . . . . ?
C2 C5 C6 O4 -65(5) . . . . ?
C2 C5 C6 C3 66(6) . . . . ?
C2 C5 C6 C4 40(7) . . . . ?
C1 N005 C1 C0 74(6) 7_565 . . . ?
C1 N005 C1 C10 -73(7) 7_565 . . . ?
C1 N005 C0 C1 -142(3) 7_565 . . . ?
C1 N005 C0 C0 159.8(17) . . . 7_565 ?
C1 N005 C0 C0 18.1(14) 7_565 . . 7_565 ?
C1 N005 C10 C1 141(5) 7_565 . . . ?
C1 N005 C10 C10 -18(2) 7_565 . . 7_565 ?
C1 N005 C10 C10 -159(3) . . . 7_565 ?
C0 N005 C1 C0 14.3(16) 7_565 . . . ?
C0 N005 C1 C10 -147(4) . . . . ?
C0 N005 C1 C10 -133(3) 7_565 . . . ?
C0 N005 C0 C1 -159.8(17) 7_565 . . . ?
C0 N005 C10 C1 75(5) 7_565 . . . ?
C0 N005 C10 C1 30(4) . . . . ?
C0 N005 C10 C10 -129(2) . . . 7_565 ?
C0 N005 C10 C10 -84(3) 7_565 . . 7_565 ?
C0 C1 C10 N005 -31(3) . . . . ?
C0 C1 C10 C10 -8(5) . . . 7_565 ?
O7 N005 C1 C10 115(3) . . . . ?
O7 N005 C10 C1 -93(3) . . . . ?
O7 N005 C10 C10 108(2) . . . 7_565 ?
C5 N006 C2 C5 150(5) . . . 7_565 ?
C5 N006 C2 C5 -150(5) 7_565 . . . ?
C5 N006 C5 C2 73(8) 7_565 . . . ?
C5 N006 C5 C3 -35(11) 7_565 . . . ?
C5 N006 C5 C4 -44(9) 7_565 . . . ?
C5 N006 C5 C6 -91(9) 7_565 . . . ?
C5 N006 O4 O4 -176(2) . . . 7_565 ?
C5 N006 O4 O4 -5(3) 7_565 . . 7_565 ?
C5 N006 O4 C6 -42(3) . . . . ?
C5 N006 O4 C6 130(4) 7_565 . . . ?
C5 N006 C3 C5 161(6) 7_565 . . . ?
C5 N006 C3 C3 -8(3) 7_565 . . 7_565 ?
C5 N006 C3 C3 -169(4) . . . 7_565 ?
C5 N006 C3 C4 -33(5) 7_565 . . . ?
C5 N006 C3 C4 166(7) . . . . ?
C5 N006 C3 C6 -130(6) 7_565 . . . ?
C5 N006 C3 C6 69(5) . . . . ?
C5 N006 C4 C5 158(5) 7_565 . . . ?
C5 N006 C4 C5 -158(5) . . . 7_565 ?
C5 N006 C4 C3 -9(5) . . . . ?
C5 N006 C4 C3 9(5) 7_565 . . 7_565 ?
C5 N006 C4 C3 149(5) 7_565 . . . ?
C5 N006 C4 C3 -149(5) . . . 7_565 ?
C5 N006 C4 C6 -37(4) 7_565 . . 7_565 ?
C5 N006 C4 C6 165(4) . . . 7_565 ?
C5 N006 C4 C6 -165(4) 7_565 . . . ?
C5 N006 C4 C6 37(4) . . . . ?
C5 N006 C6 C5 136(8) 7_565 . . . ?
C5 N006 C6 O4 94(6) . . . . ?
C5 N006 C6 O4 -130(4) 7_565 . . . ?
C5 N006 C6 C3 69(7) 7_565 . . . ?
C5 N006 C6 C3 -67(5) . . . . ?
C5 N006 C6 C4 -118(7) . . . . ?
C5 N006 C6 C4 19(5) 7_565 . . . ?
C5 C3 C4 N006 19(9) . . . . ?
C5 C3 C4 C5 45(11) . . . 7_565 ?
C5 C3 C4 C3 68(14) . . . 7_565 ?
C5 C3 C4 C6 -53(9) . . . . ?
C5 C3 C4 C6 12(15) . . . 7_565 ?
C5 C3 C6 N006 74(4) . . . . ?
C5 C3 C6 O4 58(7) . . . . ?
C5 C3 C6 C4 144(6) . . . . ?
C5 C4 C6 N006 -12(4) 7_565 . . . ?
C5 C4 C6 N006 57(5) . . . . ?
C5 C4 C6 C5 -69(7) 7_565 . . . ?
C5 C4 C6 O4 13(6) 7_565 . . . ?
C5 C4 C6 O4 82(6) . . . . ?
C5 C4 C6 C3 -33(6) . . . . ?
C5 C4 C6 C3 -102(6) 7_565 . . . ?
O4 N006 C2 C5 133(3) 7_565 . . . ?
O4 N006 C2 C5 -77(3) 7_565 . . 7_565 ?
O4 N006 C2 C5 -133(3) . . . 7_565 ?
O4 N006 C2 C5 77(3) . . . . ?
O4 N006 C5 C2 -123(3) 7_565 . . . ?
O4 N006 C5 C2 -120(2) . . . . ?
O4 N006 C5 C3 132(4) . . . . ?
O4 N006 C5 C3 128(4) 7_565 . . . ?
O4 N006 C5 C4 123(2) . . . . ?
O4 N006 C5 C4 120(3) 7_565 . . . ?
O4 N006 C5 C6 77(5) . . . . ?
O4 N006 C5 C6 73(6) 7_565 . . . ?
O4 N006 O4 C6 135(2) 7_565 . . . ?
O4 N006 C3 C5 -50(5) . . . . ?
O4 N006 C3 C5 -95(6) 7_565 . . . ?
O4 N006 C3 C3 96(4) 7_565 . . 7_565 ?
O4 N006 C3 C3 141(2) . . . 7_565 ?
O4 N006 C3 C4 116(4) . . . . ?
O4 N006 C3 C4 71(6) 7_565 . . . ?
O4 N006 C3 C6 19(6) . . . . ?
O4 N006 C3 C6 -26(7) 7_565 . . . ?
O4 N006 C4 C5 130(3) . . . 7_565 ?
O4 N006 C4 C5 -72(3) . . . . ?
O4 N006 C4 C5 -130(3) 7_565 . . . ?
O4 N006 C4 C5 72(3) 7_565 . . 7_565 ?
O4 N006 C4 C3 139(4) . . . 7_565 ?
O4 N006 C4 C3 -81(4) . . . . ?
O4 N006 C4 C3 81(4) 7_565 . . 7_565 ?
O4 N006 C4 C3 -139(4) 7_565 . . . ?
O4 N006 C4 C6 93(3) . . . 7_565 ?
O4 N006 C4 C6 -36(4) . . . . ?
O4 N006 C4 C6 -93(3) 7_565 . . . ?
O4 N006 C4 C6 36(4) 7_565 . . 7_565 ?
O4 N006 C6 C5 -129(5) 7_565 . . . ?
O4 N006 C6 C5 -94(6) . . . . ?
O4 N006 C6 O4 -35(3) 7_565 . . . ?
O4 N006 C6 C3 -162(5) . . . . ?
O4 N006 C6 C3 164(4) 7_565 . . . ?
O4 N006 C6 C4 113(3) 7_565 . . . ?
O4 N006 C6 C4 148(4) . . . . ?
O4 O4 C6 N006 42.4(18) 7_565 . . . ?
O4 O4 C6 C5 112(5) 7_565 . . . ?
O4 O4 C6 C3 63(7) 7_565 . . . ?
O4 O4 C6 C4 13(4) 7_565 . . . ?
C10 N005 C1 C0 129(3) 7_565 . . . ?
C10 N005 C1 C0 147(4) . . . . ?
C10 N005 C1 C10 -18(3) 7_565 . . . ?
C10 N005 C0 C1 -87(4) 7_565 . . . ?
C10 N005 C0 C1 -28(3) . . . . ?
C10 N005 C0 C0 72(4) 7_565 . . 7_565 ?
C10 N005 C0 C0 132(3) . . . 7_565 ?
C10 N005 C10 C1 159(3) 7_565 . . . ?
C10 C1 C0 N005 31(4) . . . . ?
C10 C1 C0 C0 8(5) . . . 7_565 ?
C3 N006 C2 C5 -39(3) . . . . ?
C3 N006 C2 C5 111(4) . . . 7_565 ?
C3 N006 C2 C5 -111(4) 7_565 . . . ?
C3 N006 C2 C5 39(3) 7_565 . . 7_565 ?
C3 N006 C5 C2 108(4) . . . . ?
C3 N006 C5 C2 97(3) 7_565 . . . ?
C3 N006 C5 C3 -11(4) 7_565 . . . ?
C3 N006 C5 C4 -20(3) 7_565 . . . ?
C3 N006 C5 C4 -9(4) . . . . ?
C3 N006 C5 C6 -67(5) 7_565 . . . ?
C3 N006 C5 C6 -56(4) . . . . ?
C3 N006 O4 O4 -146(2) . . . 7_565 ?
C3 N006 O4 O4 -63(3) 7_565 . . 7_565 ?
C3 N006 O4 C6 -11(3) . . . . ?
C3 N006 O4 C6 72(4) 7_565 . . . ?
C3 N006 C3 C5 169(4) 7_565 . . . ?
C3 N006 C3 C4 -25(5) 7_565 . . . ?
C3 N006 C3 C6 -122(5) 7_565 . . . ?
C3 N006 C4 C5 -9(5) 7_565 . . 7_565 ?
C3 N006 C4 C5 -149(5) . . . 7_565 ?
C3 N006 C4 C5 149(5) 7_565 . . . ?
C3 N006 C4 C5 9(5) . . . . ?
C3 N006 C4 C3 -140(8) . . . 7_565 ?
C3 N006 C4 C3 140(8) 7_565 . . . ?
C3 N006 C4 C6 -46(3) 7_565 . . 7_565 ?
C3 N006 C4 C6 -175(6) 7_565 . . . ?
C3 N006 C4 C6 46(3) . . . . ?
C3 N006 C4 C6 175(6) . . . 7_565 ?
C3 N006 C6 C5 121(5) 7_565 . . . ?
C3 N006 C6 C5 67(5) . . . . ?
C3 N006 C6 O4 -145(2) 7_565 . . . ?
C3 N006 C6 O4 162(5) . . . . ?
C3 N006 C6 C3 53(5) 7_565 . . . ?
C3 N006 C6 C4 -50(4) . . . . ?
C3 N006 C6 C4 3(4) 7_565 . . . ?
C3 C5 C4 N006 -156(11) . . . . ?
C3 C5 C4 C5 -139(10) . . . 7_565 ?
C3 C5 C4 C3 -124(13) . . . 7_565 ?
C3 C5 C4 C6 101(11) . . . . ?
C3 C5 C4 C6 -170(12) . . . 7_565 ?
C3 C5 C6 N006 -79(4) . . . . ?
C3 C5 C6 O4 -132(6) . . . . ?
C3 C5 C6 C4 -26(5) . . . . ?
C3 C3 C4 N006 -48(8) 7_565 . . . ?
C3 C3 C4 C5 -22(6) 7_565 . . 7_565 ?
C3 C3 C4 C5 -68(14) 7_565 . . . ?
C3 C3 C4 C6 -121(8) 7_565 . . . ?
C3 C3 C4 C6 -55(7) 7_565 . . 7_565 ?
C3 C3 C6 N006 -45.2(18) 7_565 . . . ?
C3 C3 C6 C5 -119(5) 7_565 . . . ?
C3 C3 C6 O4 -62(6) 7_565 . . . ?
C3 C3 C6 C4 24(3) 7_565 . . . ?
C3 C4 C6 N006 89(5) . . . . ?
C3 C4 C6 N006 -7(8) 7_565 . . . ?
C3 C4 C6 C5 -64(11) 7_565 . . . ?
C3 C4 C6 C5 33(6) . . . . ?
C3 C4 C6 O4 115(6) . . . . ?
C3 C4 C6 O4 18(10) 7_565 . . . ?
C3 C4 C6 C3 -97(10) 7_565 . . . ?
C4 N006 C2 C5 75(3) . . . 7_565 ?
C4 N006 C2 C5 -75(3) . . . . ?
C4 N006 C5 C2 117(3) . . . . ?
C4 N006 C5 C3 9(4) . . . . ?
C4 N006 C5 C6 -47(5) . . . . ?
C4 N006 O4 O4 -105.4(15) . . . 7_565 ?
C4 N006 O4 C6 29(3) . . . . ?
C4 N006 C3 C5 -166(7) . . . . ?
C4 N006 C3 C3 25(5) . . . 7_565 ?
C4 N006 C3 C6 -97(6) . . . . ?
C4 N006 C6 C5 118(7) . . . . ?
C4 N006 C6 O4 -148(4) . . . . ?
C4 N006 C6 C3 50(4) . . . . ?
C4 C5 C3 N006 19(9) . . . . ?
C4 C5 C3 C3 30(7) . . . 7_565 ?
C4 C5 C3 C6 -62(10) . . . . ?
C4 C5 C6 N006 -53(4) . . . . ?
C4 C5 C6 O4 -106(4) . . . . ?
C4 C5 C6 C3 26(5) . . . . ?
C4 C3 C6 N006 -69(4) . . . . ?
C4 C3 C6 C5 -144(6) . . . . ?
C4 C3 C6 O4 -86(6) . . . . ?
C6 N006 C2 C5 13(4) 7_565 . . 7_565 ?
C6 N006 C2 C5 137(3) . . . 7_565 ?
C6 N006 C2 C5 -13(4) . . . . ?
C6 N006 C2 C5 -137(3) 7_565 . . . ?
C6 N006 C5 C2 132(4) 7_565 . . . ?
C6 N006 C5 C2 164(5) . . . . ?
C6 N006 C5 C3 24(6) 7_565 . . . ?
C6 N006 C5 C3 56(4) . . . . ?
C6 N006 C5 C4 47(5) . . . . ?
C6 N006 C5 C4 15(4) 7_565 . . . ?
C6 N006 C5 C6 -31(6) 7_565 . . . ?
C6 N006 O4 O4 -135(2) . . . 7_565 ?
C6 N006 O4 O4 -47(2) 7_565 . . 7_565 ?
C6 N006 O4 C6 88(4) 7_565 . . . ?
C6 N006 C3 C5 -162(5) 7_565 . . . ?
C6 N006 C3 C5 -69(5) . . . . ?
C6 N006 C3 C3 122(5) . . . 7_565 ?
C6 N006 C3 C3 29(2) 7_565 . . 7_565 ?
C6 N006 C3 C4 97(6) . . . . ?
C6 N006 C3 C4 4(5) 7_565 . . . ?
C6 N006 C3 C6 -93(6) 7_565 . . . ?
C6 N006 C4 C5 -165(4) 7_565 . . . ?
C6 N006 C4 C5 -37(4) . . . . ?
C6 N006 C4 C5 165(4) . . . 7_565 ?
C6 N006 C4 C5 37(4) 7_565 . . 7_565 ?
C6 N006 C4 C3 175(6) . . . 7_565 ?
C6 N006 C4 C3 -175(6) 7_565 . . . ?
C6 N006 C4 C3 -46(3) . . . . ?
C6 N006 C4 C3 46(3) 7_565 . . 7_565 ?
C6 N006 C4 C6 129(6) . . . 7_565 ?
C6 N006 C4 C6 -129(6) 7_565 . . . ?
C6 N006 C6 C5 156(4) 7_565 . . . ?
C6 N006 C6 O4 -110(2) 7_565 . . . ?
C6 N006 C6 C3 89(5) 7_565 . . . ?
C6 N006 C6 C4 39(4) 7_565 . . . ?
C6 C5 C3 N006 81(5) . . . . ?
C6 C5 C3 C3 92(6) . . . 7_565 ?
C6 C5 C3 C4 62(10) . . . . ?
C6 C5 C4 N006 103(6) . . . . ?
C6 C5 C4 C5 120(6) . . . 7_565 ?
C6 C5 C4 C3 -101(11) . . . . ?
C6 C5 C4 C3 135(8) . . . 7_565 ?
C6 C5 C4 C6 89(8) . . . 7_565 ?
C6 C3 C4 N006 72(4) . . . . ?
C6 C3 C4 C5 53(9) . . . . ?
C6 C3 C4 C5 98(6) . . . 7_565 ?
C6 C3 C4 C3 121(8) . . . 7_565 ?
C6 C3 C4 C6 65(9) . . . 7_565 ?
C6 C4 C6 N006 -48(5) 7_565 . . . ?
C6 C4 C6 C5 -105(7) 7_565 . . . ?
C6 C4 C6 O4 -22(7) 7_565 . . . ?
C6 C4 C6 C3 -137(6) 7_565 . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
