# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_yuwanlei_1011-1_auto
_database_code_depnum_ccdc_archive 'CCDC 2117638'
loop_
_audit_author_name
_audit_author_address
'Wan-Lei Yu'
;lanzhou university
China
;
_audit_update_record             
;
2021-10-25 deposited with the CCDC.	2022-06-13 downloaded from the CCDC.
;
_audit_creation_date             2021-10-11
_audit_creation_method           
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H21 N O2'
_chemical_formula_sum            'C17 H21 N O2'
_chemical_formula_weight         271.35
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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                   8.1149(2)
_cell_length_b                   9.1915(3)
_cell_length_c                   10.8628(4)
_cell_angle_alpha                68.232(3)
_cell_angle_beta                 78.440(2)
_cell_angle_gamma                81.264(2)
_cell_volume                     734.51(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6157
_cell_measurement_temperature    300.58(10)
_cell_measurement_theta_max      76.8780
_cell_measurement_theta_min      4.4350
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.633
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85313
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.113a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             292
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0171
_diffrn_reflns_av_unetI/netI     0.0165
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.933
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7622
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.933
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.395
_diffrn_reflns_theta_min         4.438
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      300.58(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -27.00  23.00   0.50    0.05    --   47.57 -19.00  30.00  100
  2  ω    -14.00  21.00   0.50    0.05    --   47.57 -19.00 -60.00   70
  3  ω    -18.00  12.00   0.50    0.05    --   47.57 -19.00 -90.00   60
  4  ω     37.00  62.00   0.50    0.05    --  107.75 -57.00 -30.00   50
  5  ω     37.00  62.00   0.50    0.05    --  107.75 -57.00  30.00   50
  6  ω     85.00 133.00   0.50    0.05    --  107.75 107.00 124.00   96
  7  ω     35.00 103.00   0.50    0.05    --  107.75 -99.00 -30.00  136
  8  ω     69.00 105.00   0.50    0.05    --  107.75-107.00  26.00   72
  9  ω      5.00  39.00   0.50    0.05    --   47.57-107.00  26.00   68
 10  ω     42.00  76.00   0.50    0.05    --  107.75-125.00 -90.00   68
 11  ω     79.00 109.00   0.50    0.05    --  107.75-125.00 -90.00   60
 12  ω     42.00 112.00   0.50    0.05    --  107.75-125.00-120.00  140
 13  ω     40.00 102.00   0.50    0.05    --  107.75 -99.00 -90.00  124
 14  ω     46.00  92.00   0.50    0.05    --  107.75 -99.00 -60.00   92
 15  ω     71.00  96.00   0.50    0.05    --  107.75 -99.00 150.00   50
 16  ω    -82.00 -11.00   0.50    0.05    --  -47.57 107.00 124.00  142
 17  ω   -106.00 -46.00   0.50    0.05    -- -100.00 107.00 124.00  120
 18  ω   -106.00 -28.00   0.50    0.05    -- -100.00  77.00 150.00  156
 19  ω    -69.00 -31.00   0.50    0.05    -- -100.00  57.00  90.00   76
 20  ω    -69.00 -37.00   0.50    0.05    -- -100.00  57.00  60.00   64
 21  ω    -61.00 -36.00   0.50    0.05    -- -100.00  57.00 -30.00   50
 22  ω    -55.00 -30.00   0.50    0.05    -- -100.00  57.00 -60.00   50
 23  ω    -61.00 -36.00   0.50    0.05    -- -100.00  57.00-120.00   50
 24  ω    -89.00 -26.00   0.50    0.05    --  -47.57 125.00-180.00  126
 25  ω    -30.00  -4.00   0.50    0.05    --  -47.57  37.00-180.00   52
 26  ω    -53.00 -25.00   0.50    0.05    --  -47.57 -77.00  30.00   56
 27  ω   -117.00 -60.00   0.50    0.05    --  -47.57 -77.00  30.00  114
 28  ω   -120.00 -94.00   0.50    0.05    -- -100.00 -37.00 120.00   52
 29  ω   -173.00-138.00   0.50    0.05    -- -100.00 -37.00 120.00   70
 30  ω   -172.00 -90.00   0.50    0.05    -- -100.00 -37.00  90.00  164
 31  ω   -165.00-126.00   0.50    0.05    -- -100.00 -37.00  60.00   78
 32  ω   -172.00 -87.00   0.50    0.05    -- -100.00 -37.00 -30.00  170
 33  ω   -130.00-101.00   0.50    0.05    -- -100.00-107.00  26.00   58
 34  ω   -173.00 -99.00   0.50    0.05    -- -100.00 -99.00  60.00  148
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0593992000
_diffrn_orient_matrix_UB_12      -0.1266496000
_diffrn_orient_matrix_UB_13      -0.0384327000
_diffrn_orient_matrix_UB_21      0.0886610000
_diffrn_orient_matrix_UB_22      0.0749450000
_diffrn_orient_matrix_UB_23      -0.1453376000
_diffrn_orient_matrix_UB_31      0.1625876000
_diffrn_orient_matrix_UB_32      -0.1056080000
_diffrn_orient_matrix_UB_33      0.0361832000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2697
_reflns_number_total             2912
_reflns_odcompleteness_completeness 99.12
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.41.113a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_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, 2015)'
_refine_diff_density_max         0.242
_refine_diff_density_min         -0.145
_refine_diff_density_rms         0.030
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     184
_refine_ls_number_reflns         2912
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0418
_refine_ls_restrained_S_all      1.059
_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)+(0.0581P)²+0.1378P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1138
_refine_ls_wR_factor_ref         0.1156
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1), C3(H3)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C14(H14A,H14B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C10(H10), C12(H12), C13(H13)
2.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C)
;
_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
O1 O 0.71798(14) 0.66455(13) 0.46093(10) 0.0652(3) Uani 1 1 d . . . . .
O2 O 0.65535(11) 0.70223(12) 0.83857(10) 0.0545(3) Uani 1 1 d . . . . .
N1 N 0.61054(11) 0.61009(11) 0.67955(9) 0.0370(2) Uani 1 1 d . . . . .
C1 C 0.56989(13) 0.45241(12) 0.69537(11) 0.0354(3) Uani 1 1 d . . . . .
H1 H 0.516399 0.462384 0.619023 0.042 Uiso 1 1 calc R . . . .
C2 C 0.36892(13) 0.71162(13) 0.81842(11) 0.0373(3) Uani 1 1 d . . . . .
C3 C 0.44619(14) 0.38439(13) 0.82373(11) 0.0383(3) Uani 1 1 d . . . . .
H3 H 0.487303 0.394814 0.898708 0.046 Uiso 1 1 calc R . . . .
C4 C 0.55432(13) 0.66990(13) 0.78736(11) 0.0368(3) Uani 1 1 d . . . . .
C5 C 0.23933(14) 0.62330(14) 0.82430(12) 0.0394(3) Uani 1 1 d . . . . .
C6 C 0.32937(17) 0.85724(15) 0.83493(14) 0.0498(3) Uani 1 1 d . . . . .
H6 H 0.415690 0.913499 0.834487 0.060 Uiso 1 1 calc R . . . .
C7 C 0.68558(15) 0.70698(15) 0.55740(12) 0.0463(3) Uani 1 1 d . . . . .
C8 C 0.26763(14) 0.46031(15) 0.81847(13) 0.0442(3) Uani 1 1 d . . . . .
H8A H 0.234430 0.464401 0.736209 0.053 Uiso 1 1 calc R . . . .
H8B H 0.193577 0.393357 0.892784 0.053 Uiso 1 1 calc R . . . .
C9 C 0.46221(17) 0.21128(14) 0.84015(14) 0.0503(3) Uani 1 1 d . . . . .
H9A H 0.417490 0.147390 0.930936 0.060 Uiso 1 1 calc R . . . .
H9B H 0.403424 0.194395 0.777766 0.060 Uiso 1 1 calc R . . . .
C10 C 0.07334(15) 0.68758(17) 0.84367(15) 0.0527(3) Uani 1 1 d . . . . .
H10 H -0.014538 0.630392 0.848684 0.063 Uiso 1 1 calc R . . . .
C11 C 0.72446(15) 0.32501(15) 0.70315(14) 0.0468(3) Uani 1 1 d . . . . .
C12 C 0.16408(19) 0.91861(17) 0.85187(17) 0.0608(4) Uani 1 1 d . . . . .
H12 H 0.139040 1.016734 0.860741 0.073 Uiso 1 1 calc R . . . .
C13 C 0.03613(18) 0.83331(19) 0.85555(17) 0.0618(4) Uani 1 1 d . . . . .
H13 H -0.075631 0.874432 0.866107 0.074 Uiso 1 1 calc R . . . .
C14 C 0.65111(19) 0.17370(16) 0.80905(17) 0.0592(4) Uani 1 1 d . . . . .
H14A H 0.674110 0.088554 0.773966 0.071 Uiso 1 1 calc R . . . .
H14B H 0.701735 0.142107 0.889756 0.071 Uiso 1 1 calc R . . . .
C15 C 0.7246(2) 0.86687(18) 0.54631(17) 0.0692(4) Uani 1 1 d . . . . .
H15A H 0.818665 0.855735 0.591419 0.104 Uiso 1 1 calc GR . . . .
H15B H 0.627895 0.916451 0.587054 0.104 Uiso 1 1 calc GR . . . .
H15C H 0.752271 0.930321 0.453390 0.104 Uiso 1 1 calc GR . . . .
C16 C 0.87068(19) 0.3655(2) 0.7498(2) 0.0783(5) Uani 1 1 d . . . . .
H16A H 0.912002 0.461660 0.685262 0.117 Uiso 1 1 calc GR . . . .
H16B H 0.959670 0.282242 0.758319 0.117 Uiso 1 1 calc GR . . . .
H16C H 0.832583 0.377990 0.835093 0.117 Uiso 1 1 calc GR . . . .
C17 C 0.7835(3) 0.3004(2) 0.56884(19) 0.0846(6) Uani 1 1 d . . . . .
H17A H 0.689266 0.278996 0.538955 0.127 Uiso 1 1 calc GR . . . .
H17B H 0.867965 0.213174 0.579761 0.127 Uiso 1 1 calc GR . . . .
H17C H 0.830371 0.393581 0.503529 0.127 Uiso 1 1 calc GR . . . .


_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
O1 C7 1.2169(16) . ?
O2 C4 1.2038(13) . ?
N1 C1 1.4753(14) . ?
N1 C4 1.4384(14) . ?
N1 C7 1.3744(15) . ?
C1 C3 1.5251(15) . ?
C1 C11 1.5731(15) . ?
C2 C4 1.4972(15) . ?
C2 C5 1.4011(16) . ?
C2 C6 1.3968(17) . ?
C3 C8 1.5120(16) . ?
C3 C9 1.5220(16) . ?
C5 C8 1.5037(16) . ?
C5 C10 1.3944(16) . ?
C6 C12 1.3782(19) . ?
C7 C15 1.507(2) . ?
C9 C14 1.5171(19) . ?
C10 C13 1.375(2) . ?
C11 C14 1.550(2) . ?
C11 C16 1.522(2) . ?
C11 C17 1.530(2) . ?
C12 C13 1.379(2) . ?

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
C4 N1 C1 119.96(9) . . ?
C7 N1 C1 120.19(10) . . ?
C7 N1 C4 119.47(10) . . ?
N1 C1 C3 111.18(9) . . ?
N1 C1 C11 115.47(9) . . ?
C3 C1 C11 105.50(9) . . ?
C5 C2 C4 126.03(10) . . ?
C6 C2 C4 113.96(10) . . ?
C6 C2 C5 119.92(11) . . ?
C8 C3 C1 114.34(10) . . ?
C8 C3 C9 113.52(10) . . ?
C9 C3 C1 101.92(9) . . ?
O2 C4 N1 120.26(10) . . ?
O2 C4 C2 121.73(10) . . ?
N1 C4 C2 117.41(9) . . ?
C2 C5 C8 124.11(10) . . ?
C10 C5 C2 117.79(11) . . ?
C10 C5 C8 118.01(10) . . ?
C12 C6 C2 120.85(12) . . ?
O1 C7 N1 120.58(12) . . ?
O1 C7 C15 121.22(12) . . ?
N1 C7 C15 118.20(12) . . ?
C5 C8 C3 115.79(9) . . ?
C14 C9 C3 103.37(10) . . ?
C13 C10 C5 121.76(12) . . ?
C14 C11 C1 103.19(10) . . ?
C16 C11 C1 111.94(11) . . ?
C16 C11 C14 110.20(13) . . ?
C16 C11 C17 110.35(14) . . ?
C17 C11 C1 111.50(11) . . ?
C17 C11 C14 109.44(13) . . ?
C6 C12 C13 119.45(13) . . ?
C10 C13 C12 120.19(12) . . ?
C9 C14 C11 107.13(10) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.390
_oxdiff_exptl_absorpt_empirical_full_min 0.453
####################################################################### 
# 
# 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_yuwl_0113_auto
_database_code_depnum_ccdc_archive 'CCDC 2142047'
loop_
_audit_author_name
_audit_author_address
yuwl
;lanzhou
China
;
_audit_update_record             
;
2022-01-14 deposited with the CCDC.	2022-06-13 downloaded from the CCDC.
;
_audit_creation_date             2022-01-14
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H34 Co N5 O4 Sn'
_chemical_formula_sum            'C31 H32 Co N5 O4 Sn'
_chemical_formula_weight         716.23
_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'
Sn Sn -0.6537 1.4246 '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           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_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'
'-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                   15.0187(7)
_cell_length_b                   14.1539(5)
_cell_length_c                   30.0583(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6389.6(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9531
_cell_measurement_temperature    275(4)
_cell_measurement_theta_max      30.5710
_cell_measurement_theta_min      2.0960
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.343
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.12056
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.122a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2896
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0627
_diffrn_reflns_av_unetI/netI     0.0579
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.808
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            36488
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.808
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.911
_diffrn_reflns_theta_min         2.090
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      275(4)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.808
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -66.00 -24.00   0.50   11.17    --    3.64 -61.00  20.00   84
  2  ω     -8.00  20.00   0.50   11.17    --    3.64 -61.00  20.00   56
  3  ω     -2.00  24.00   0.50   11.17    --   -6.53 -99.00  90.00   52
  4  ω     30.00  64.00   0.50   11.17    --   -6.53  37.00-150.00   68
  5  ω    -17.00  22.00   0.50   11.17    --   -6.53 -99.00  30.00   78
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0021542000
_diffrn_orient_matrix_UB_12      0.0500634000
_diffrn_orient_matrix_UB_13      -0.0003063000
_diffrn_orient_matrix_UB_21      -0.0334161000
_diffrn_orient_matrix_UB_22      0.0011583000
_diffrn_orient_matrix_UB_23      -0.0166638000
_diffrn_orient_matrix_UB_31      -0.0332859000
_diffrn_orient_matrix_UB_32      0.0020708000
_diffrn_orient_matrix_UB_33      0.0167148000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5195
_reflns_number_total             8171
_reflns_odcompleteness_completeness 99.81
_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 1.171.41.122a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.369
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       0.00015(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         8171
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0363
_refine_ls_restrained_S_all      1.035
_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)+(0.0279P)²+0.9128P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0759
_refine_ls_wR_factor_ref         0.0861
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H79(0.5) H80(0.5) C16(0.5) H38(0.5) C40(0.5) H61(0.5) C17(0.5)
 H41(0.5) C39(0.5) H60(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C18(H42), C19(H44), C43(H62), C45(H64), C63(H81), C13(H32), C11(H28),
 C12(H30), C29(H52), C31(H54), C14(H34), C53(H77), C33(H55), C15(H36), C56(H78),
  C35(H57), C37(H58), C59(H79), C59(H80), C16(H38), C40(H61), C17(H41), C39(H60)
3.b Idealised Me refined as rotating group:
 C49(H71,H72,H73), C51(H74,H75,H76), C48(H68,H69,H70), C47(H65,H66,H67)
;
_atom_sites_solution_hydrogens   mixed
_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
Sn2 Sn 0.52018(2) 0.27252(2) 0.37437(2) 0.03742(7) Uani 1 1 d . . . . .
Co3 Co 0.34998(3) 0.27989(2) 0.37904(2) 0.03304(10) Uani 1 1 d . . . . .
O23 O 0.35643(15) 0.47978(12) 0.38569(7) 0.0506(5) Uani 1 1 d . . . . .
N7 N 0.21268(17) 0.28185(13) 0.38153(6) 0.0362(5) Uani 1 1 d . . . . .
O21 O 0.35334(17) 0.14420(15) 0.44965(8) 0.0604(6) Uani 1 1 d . . . . .
O24 O 0.35554(16) 0.07985(12) 0.37240(7) 0.0556(6) Uani 1 1 d . . . . .
O26 O 0.34709(17) 0.41553(14) 0.30867(8) 0.0592(6) Uani 1 1 d . . . . .
N8 N 0.35813(18) 0.23718(15) 0.43811(7) 0.0428(6) Uani 1 1 d . . . . .
N9 N 0.36005(16) 0.39738(14) 0.40818(8) 0.0411(6) Uani 1 1 d . . . . .
N10 N 0.35110(17) 0.16219(14) 0.34987(7) 0.0417(6) Uani 1 1 d . . . . .
N11 N 0.34855(17) 0.32250(14) 0.32016(7) 0.0416(6) Uani 1 1 d . . . . .
C19 C 0.1669(2) 0.36263(18) 0.37558(8) 0.0442(7) Uani 1 1 d . . . . .
H19 H 0.198150 0.418289 0.370448 0.053 Uiso 1 1 calc R U . . .
C20 C 0.1661(2) 0.20245(18) 0.38854(9) 0.0434(7) Uani 1 1 d . . . . .
H20 H 0.196844 0.146088 0.392621 0.052 Uiso 1 1 calc R U . . .
C4 C 0.5600(2) 0.20887(19) 0.31206(9) 0.0424(7) Uani 1 1 d . . . . .
C5 C 0.5712(2) 0.1908(2) 0.42965(9) 0.0460(7) Uani 1 1 d . . . . .
C43 C 0.0750(2) 0.3656(2) 0.37684(10) 0.0537(8) Uani 1 1 d . . . . .
H43 H 0.045158 0.422474 0.372741 0.064 Uiso 1 1 calc R U . . .
C25 C 0.3437(2) 0.16245(19) 0.30708(9) 0.0463(7) Uani 1 1 d . . . . .
C1 C 0.3645(2) 0.3961(2) 0.45133(10) 0.0509(8) Uani 1 1 d . . . . .
C45 C 0.0746(2) 0.2011(2) 0.38993(11) 0.0551(8) Uani 1 1 d . . . . .
H45 H 0.044261 0.144715 0.394705 0.066 Uiso 1 1 calc R U . . .
C22 C 0.3647(2) 0.3011(2) 0.46924(9) 0.0528(8) Uani 1 1 d . . . . .
C27 C 0.3415(2) 0.2583(2) 0.28905(9) 0.0488(7) Uani 1 1 d . . . . .
C6 C 0.5983(3) 0.4008(2) 0.37375(10) 0.0563(8) Uani 1 1 d . . . . .
C61 C 0.0283(3) 0.2842(2) 0.38416(12) 0.0600(9) Uani 1 1 d . . . . .
H61 H -0.033577 0.284921 0.385219 0.072 Uiso 1 1 calc R U . . .
C14 C 0.5623(3) 0.0940(2) 0.43157(11) 0.0664(10) Uani 1 1 d . . . . .
H14 H 0.535693 0.062423 0.407916 0.080 Uiso 1 1 calc R U . . .
C12 C 0.5765(3) 0.2662(2) 0.27574(11) 0.0681(11) Uani 1 1 d . . . . .
H12 H 0.572610 0.331441 0.278882 0.082 Uiso 1 1 calc R U . . .
C48 C 0.3396(3) 0.0739(2) 0.27973(12) 0.0755(11) Uani 1 1 d . . . . .
H48A H 0.397259 0.061125 0.267305 0.113 Uiso 1 1 calc R U . . .
H48B H 0.297187 0.081855 0.256139 0.113 Uiso 1 1 calc R U . . .
H48C H 0.321781 0.021946 0.298249 0.113 Uiso 1 1 calc R U . . .
C13 C 0.5667(3) 0.1130(2) 0.30554(11) 0.0691(11) Uani 1 1 d . . . . .
H13 H 0.555503 0.072401 0.329201 0.083 Uiso 1 1 calc R U . . .
C49 C 0.3338(3) 0.2820(3) 0.24049(11) 0.0846(13) Uani 1 1 d . . . . .
H49A H 0.315631 0.346705 0.237271 0.127 Uiso 1 1 calc R U . . .
H49B H 0.290371 0.241534 0.226866 0.127 Uiso 1 1 calc R U . . .
H49C H 0.390431 0.273049 0.226302 0.127 Uiso 1 1 calc R U . . .
C47 C 0.3693(3) 0.4850(2) 0.47885(12) 0.0804(12) Uani 1 1 d . . . . .
H47A H 0.416290 0.524628 0.467799 0.121 Uiso 1 1 calc R U . . .
H47B H 0.381110 0.468907 0.509304 0.121 Uiso 1 1 calc R U . . .
H47C H 0.313705 0.518199 0.476946 0.121 Uiso 1 1 calc R U . . .
C29 C 0.5988(3) 0.2281(3) 0.23467(12) 0.0858(14) Uani 1 1 d . . . . .
H29 H 0.609656 0.267694 0.210565 0.103 Uiso 1 1 calc R U . . .
C31 C 0.5898(3) 0.0753(3) 0.26420(13) 0.0822(13) Uani 1 1 d . . . . .
H31 H 0.594620 0.010169 0.260709 0.099 Uiso 1 1 calc R U . . .
C15 C 0.6085(3) 0.2351(3) 0.46605(11) 0.0736(11) Uani 1 1 d . . . . .
H15 H 0.614298 0.300512 0.466409 0.088 Uiso 1 1 calc R U . . .
C51 C 0.6049(3) 0.1323(3) 0.22977(12) 0.0782(12) Uani 1 1 d . . . . .
H51 H 0.619676 0.106799 0.202232 0.094 Uiso 1 1 calc R U . . .
C33 C 0.5921(3) 0.0424(3) 0.46802(14) 0.0857(13) Uani 1 1 d . . . . .
H33 H 0.586074 -0.023026 0.468196 0.103 Uiso 1 1 calc R U . . .
C46 C 0.3723(4) 0.2763(3) 0.51771(11) 0.0945(15) Uani 1 1 d . . . . .
H46A H 0.326602 0.231768 0.525405 0.142 Uiso 1 1 calc R U . . .
H46B H 0.365346 0.332437 0.535319 0.142 Uiso 1 1 calc R U . . .
H46C H 0.429636 0.248962 0.523354 0.142 Uiso 1 1 calc R U . . .
C16 C 0.5686(3) 0.4856(3) 0.35901(19) 0.1062(17) Uani 1 1 d . . . . .
H16 H 0.509130 0.491766 0.350928 0.127 Uiso 1 1 calc R U . . .
C54 C 0.6293(3) 0.0858(4) 0.50270(15) 0.0939(15) Uani 1 1 d . . . . .
H54 H 0.649317 0.050861 0.526908 0.113 Uiso 1 1 calc R U . . .
C35 C 0.6379(3) 0.1816(4) 0.50254(12) 0.0947(14) Uani 1 1 d . . . . .
H35 H 0.663425 0.211863 0.526850 0.114 Uiso 1 1 calc R U . . .
C37 C 0.6249(4) 0.5643(3) 0.3556(2) 0.138(3) Uani 1 1 d . . . . .
H37 H 0.602008 0.621967 0.346141 0.165 Uiso 1 1 calc R U . . .
C57 C 0.7103(5) 0.5572(4) 0.3656(2) 0.135(3) Uani 1 1 d . . . . .
H57 H 0.753546 0.598356 0.354929 0.161 Uiso 0.5 1 calc R U P A 1
H57A H 0.744476 0.611033 0.370286 0.161 Uiso 0.5 1 calc R U P B 2
C17 C 0.6943(12) 0.3850(11) 0.3736(6) 0.114(8) Uani 0.5 1 d . . P C 2
H17 H 0.716405 0.323960 0.376477 0.137 Uiso 0.5 1 calc R U P C 2
C40 C 0.7262(12) 0.4922(15) 0.3898(5) 0.138(8) Uani 0.5 1 d . . P C 1
H40 H 0.775452 0.497348 0.408453 0.165 Uiso 0.5 1 calc R U P C 1
C18 C 0.6764(12) 0.4100(12) 0.3920(5) 0.095(5) Uani 0.5 1 d . . P C 1
H18 H 0.699939 0.358651 0.407361 0.114 Uiso 0.5 1 calc R U P C 1
C39 C 0.7520(12) 0.4590(12) 0.3694(7) 0.150(9) Uani 0.5 1 d . . P C 2
H39 H 0.813357 0.450079 0.368835 0.180 Uiso 0.5 1 calc R U P C 2
H21 H 0.353(2) 0.109(2) 0.4214(11) 0.063(10) Uiso 1 1 d . . . . .
H26 H 0.349(3) 0.445(2) 0.3349(12) 0.076(12) 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
Sn2 Co3 2.5621(5) . ?
Sn2 C4 2.163(3) . ?
Sn2 C5 2.164(3) . ?
Sn2 C6 2.161(3) . ?
Co3 N7 2.064(3) . ?
Co3 N8 1.880(2) . ?
Co3 N9 1.886(2) . ?
Co3 N10 1.882(2) . ?
Co3 N11 1.870(2) . ?
O23 N9 1.349(3) . ?
N7 C19 1.346(3) . ?
N7 C20 1.340(3) . ?
O21 N8 1.363(3) . ?
O21 H21 0.98(3) . ?
O24 N10 1.350(3) . ?
O26 N11 1.361(3) . ?
O26 H26 0.89(4) . ?
N8 C22 1.305(4) . ?
N9 C1 1.299(4) . ?
N10 C25 1.291(3) . ?
N11 C27 1.308(4) . ?
C19 H19 0.9300 . ?
C19 C43 1.381(4) . ?
C20 H20 0.9300 . ?
C20 C45 1.375(4) . ?
C4 C12 1.383(4) . ?
C4 C13 1.374(4) . ?
C5 C14 1.378(5) . ?
C5 C15 1.380(5) . ?
C43 H43 0.9300 . ?
C43 C61 1.366(5) . ?
C25 C27 1.461(4) . ?
C25 C48 1.501(4) . ?
C1 C22 1.448(4) . ?
C1 C47 1.508(4) . ?
C45 H45 0.9300 . ?
C45 C61 1.377(5) . ?
C22 C46 1.503(4) . ?
C27 C49 1.502(4) . ?
C6 C16 1.354(5) . ?
C6 C17 1.459(18) . ?
C6 C18 1.302(18) . ?
C61 H61 0.9300 . ?
C14 H14 0.9300 . ?
C14 C33 1.391(5) . ?
C12 H12 0.9300 . ?
C12 C29 1.388(5) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C13 H13 0.9300 . ?
C13 C31 1.396(4) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C29 H29 0.9300 . ?
C29 C51 1.367(5) . ?
C31 H31 0.9300 . ?
C31 C51 1.332(5) . ?
C15 H15 0.9300 . ?
C15 C35 1.404(5) . ?
C51 H51 0.9300 . ?
C33 H33 0.9300 . ?
C33 C54 1.333(6) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C16 H16 0.9300 . ?
C16 C37 1.403(6) . ?
C54 H54 0.9300 . ?
C54 C35 1.362(6) . ?
C35 H35 0.9300 . ?
C37 H37 0.9300 . ?
C37 C57 1.321(9) . ?
C57 H57 0.9300 . ?
C57 H57A 0.9300 . ?
C57 C40 1.20(2) . ?
C57 C39 1.53(2) . ?
C17 H17 0.9300 . ?
C17 C39 1.36(3) . ?
C40 H40 0.9300 . ?
C40 C18 1.39(3) . ?
C18 H18 0.9300 . ?
C39 H39 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
C4 Sn2 Co3 109.89(8) . . ?
C4 Sn2 C5 110.14(11) . . ?
C5 Sn2 Co3 109.43(8) . . ?
C6 Sn2 Co3 120.51(10) . . ?
C6 Sn2 C4 101.09(12) . . ?
C6 Sn2 C5 105.27(13) . . ?
N7 Co3 Sn2 178.11(6) . . ?
N8 Co3 Sn2 88.49(8) . . ?
N8 Co3 N7 92.01(10) . . ?
N8 Co3 N9 80.77(10) . . ?
N8 Co3 N10 98.90(10) . . ?
N9 Co3 Sn2 88.93(8) . . ?
N9 Co3 N7 92.95(9) . . ?
N10 Co3 Sn2 85.96(8) . . ?
N10 Co3 N7 92.16(9) . . ?
N10 Co3 N9 174.89(11) . . ?
N11 Co3 Sn2 88.43(8) . . ?
N11 Co3 N7 91.07(9) . . ?
N11 Co3 N8 176.92(12) . . ?
N11 Co3 N9 98.98(9) . . ?
N11 Co3 N10 81.07(9) . . ?
C19 N7 Co3 121.14(19) . . ?
C20 N7 Co3 121.07(19) . . ?
C20 N7 C19 117.8(3) . . ?
N8 O21 H21 105.4(18) . . ?
N11 O26 H26 103(2) . . ?
O21 N8 Co3 123.19(18) . . ?
C22 N8 Co3 117.32(19) . . ?
C22 N8 O21 119.4(2) . . ?
O23 N9 Co3 121.76(17) . . ?
C1 N9 Co3 117.09(19) . . ?
C1 N9 O23 121.0(2) . . ?
O24 N10 Co3 122.07(17) . . ?
C25 N10 Co3 117.43(18) . . ?
C25 N10 O24 120.4(2) . . ?
O26 N11 Co3 123.52(18) . . ?
C27 N11 Co3 116.95(18) . . ?
C27 N11 O26 119.3(2) . . ?
N7 C19 H19 118.9 . . ?
N7 C19 C43 122.2(3) . . ?
C43 C19 H19 118.9 . . ?
N7 C20 H20 118.7 . . ?
N7 C20 C45 122.6(3) . . ?
C45 C20 H20 118.7 . . ?
C12 C4 Sn2 119.3(2) . . ?
C13 C4 Sn2 123.7(2) . . ?
C13 C4 C12 117.0(3) . . ?
C14 C5 Sn2 122.0(2) . . ?
C14 C5 C15 117.2(3) . . ?
C15 C5 Sn2 120.6(2) . . ?
C19 C43 H43 120.3 . . ?
C61 C43 C19 119.5(3) . . ?
C61 C43 H43 120.3 . . ?
N10 C25 C27 112.0(2) . . ?
N10 C25 C48 123.2(3) . . ?
C27 C25 C48 124.9(3) . . ?
N9 C1 C22 112.6(2) . . ?
N9 C1 C47 122.6(3) . . ?
C22 C1 C47 124.8(3) . . ?
C20 C45 H45 120.4 . . ?
C20 C45 C61 119.3(3) . . ?
C61 C45 H45 120.4 . . ?
N8 C22 C1 112.1(2) . . ?
N8 C22 C46 122.6(3) . . ?
C1 C22 C46 125.3(3) . . ?
N11 C27 C25 112.2(2) . . ?
N11 C27 C49 123.0(3) . . ?
C25 C27 C49 124.7(3) . . ?
C16 C6 Sn2 124.6(3) . . ?
C16 C6 C17 117.3(8) . . ?
C17 C6 Sn2 114.1(7) . . ?
C18 C6 Sn2 124.7(8) . . ?
C18 C6 C16 110.2(8) . . ?
C43 C61 C45 118.8(3) . . ?
C43 C61 H61 120.6 . . ?
C45 C61 H61 120.6 . . ?
C5 C14 H14 119.2 . . ?
C5 C14 C33 121.6(4) . . ?
C33 C14 H14 119.2 . . ?
C4 C12 H12 119.4 . . ?
C4 C12 C29 121.2(3) . . ?
C29 C12 H12 119.4 . . ?
C25 C48 H48A 109.5 . . ?
C25 C48 H48B 109.5 . . ?
C25 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C4 C13 H13 119.2 . . ?
C4 C13 C31 121.5(3) . . ?
C31 C13 H13 119.2 . . ?
C27 C49 H49A 109.5 . . ?
C27 C49 H49B 109.5 . . ?
C27 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C1 C47 H47A 109.5 . . ?
C1 C47 H47B 109.5 . . ?
C1 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C12 C29 H29 120.1 . . ?
C51 C29 C12 119.8(3) . . ?
C51 C29 H29 120.1 . . ?
C13 C31 H31 120.0 . . ?
C51 C31 C13 120.1(4) . . ?
C51 C31 H31 120.0 . . ?
C5 C15 H15 119.9 . . ?
C5 C15 C35 120.1(4) . . ?
C35 C15 H15 119.9 . . ?
C29 C51 H51 119.8 . . ?
C31 C51 C29 120.4(3) . . ?
C31 C51 H51 119.8 . . ?
C14 C33 H33 119.7 . . ?
C54 C33 C14 120.6(4) . . ?
C54 C33 H33 119.7 . . ?
C22 C46 H46A 109.5 . . ?
C22 C46 H46B 109.5 . . ?
C22 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C6 C16 H16 119.0 . . ?
C6 C16 C37 122.0(5) . . ?
C37 C16 H16 119.0 . . ?
C33 C54 H54 120.1 . . ?
C33 C54 C35 119.8(4) . . ?
C35 C54 H54 120.1 . . ?
C15 C35 H35 119.7 . . ?
C54 C35 C15 120.7(4) . . ?
C54 C35 H35 119.7 . . ?
C16 C37 H37 119.8 . . ?
C57 C37 C16 120.5(5) . . ?
C57 C37 H37 119.8 . . ?
C37 C57 H57 123.5 . . ?
C37 C57 H57A 120.5 . . ?
C37 C57 C39 119.0(8) . . ?
C40 C57 C37 113.1(10) . . ?
C40 C57 H57 123.5 . . ?
C39 C57 H57A 120.5 . . ?
C6 C17 H17 119.6 . . ?
C39 C17 C6 120.7(13) . . ?
C39 C17 H17 119.6 . . ?
C57 C40 H40 117.8 . . ?
C57 C40 C18 124.5(15) . . ?
C18 C40 H40 117.8 . . ?
C6 C18 C40 123.4(15) . . ?
C6 C18 H18 118.3 . . ?
C40 C18 H18 118.3 . . ?
C57 C39 H39 121.8 . . ?
C17 C39 C57 116.3(14) . . ?
C17 C39 H39 121.8 . . ?

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
Sn2 Co3 N8 O21 -92.9(2) . . . . ?
Sn2 Co3 N8 C22 90.3(2) . . . . ?
Sn2 Co3 N9 O23 93.9(2) . . . . ?
Sn2 Co3 N9 C1 -90.8(2) . . . . ?
Sn2 Co3 N10 O24 88.7(2) . . . . ?
Sn2 Co3 N10 C25 -94.1(2) . . . . ?
Sn2 Co3 N11 O26 -93.9(2) . . . . ?
Sn2 Co3 N11 C27 91.6(2) . . . . ?
Sn2 C4 C12 C29 -177.5(3) . . . . ?
Sn2 C4 C13 C31 177.8(3) . . . . ?
Sn2 C5 C14 C33 -177.4(3) . . . . ?
Sn2 C5 C15 C35 177.2(3) . . . . ?
Sn2 C6 C16 C37 -173.9(4) . . . . ?
Sn2 C6 C17 C39 174.3(15) . . . . ?
Sn2 C6 C18 C40 177.8(12) . . . . ?
Co3 N7 C19 C43 179.6(2) . . . . ?
Co3 N7 C20 C45 -179.3(2) . . . . ?
Co3 N8 C22 C1 0.0(4) . . . . ?
Co3 N8 C22 C46 -179.6(3) . . . . ?
Co3 N9 C1 C22 2.6(4) . . . . ?
Co3 N9 C1 C47 -177.8(3) . . . . ?
Co3 N10 C25 C27 3.8(4) . . . . ?
Co3 N10 C25 C48 -177.3(3) . . . . ?
Co3 N11 C27 C25 -4.9(4) . . . . ?
Co3 N11 C27 C49 176.1(3) . . . . ?
O23 N9 C1 C22 178.0(3) . . . . ?
O23 N9 C1 C47 -2.4(5) . . . . ?
N7 Co3 N8 O21 85.3(2) . . . . ?
N7 Co3 N8 C22 -91.6(2) . . . . ?
N7 Co3 N9 O23 -85.9(2) . . . . ?
N7 Co3 N9 C1 89.5(2) . . . . ?
N7 Co3 N10 O24 -91.5(2) . . . . ?
N7 Co3 N10 C25 85.6(2) . . . . ?
N7 Co3 N11 O26 87.9(2) . . . . ?
N7 Co3 N11 C27 -86.6(2) . . . . ?
N7 C19 C43 C61 -0.3(4) . . . . ?
N7 C20 C45 C61 -0.3(5) . . . . ?
O21 N8 C22 C1 -177.0(3) . . . . ?
O21 N8 C22 C46 3.4(5) . . . . ?
O24 N10 C25 C27 -179.0(3) . . . . ?
O24 N10 C25 C48 -0.1(5) . . . . ?
O26 N11 C27 C25 -179.6(3) . . . . ?
O26 N11 C27 C49 1.4(5) . . . . ?
N8 Co3 N9 O23 -177.5(2) . . . . ?
N8 Co3 N9 C1 -2.1(2) . . . . ?
N8 Co3 N10 O24 0.8(2) . . . . ?
N8 Co3 N10 C25 178.0(2) . . . . ?
N9 Co3 N8 O21 178.0(3) . . . . ?
N9 Co3 N8 C22 1.1(2) . . . . ?
N9 Co3 N11 O26 -5.2(2) . . . . ?
N9 Co3 N11 C27 -179.7(2) . . . . ?
N9 C1 C22 N8 -1.6(4) . . . . ?
N9 C1 C22 C46 177.9(4) . . . . ?
N10 Co3 N8 O21 -7.2(3) . . . . ?
N10 Co3 N8 C22 175.9(2) . . . . ?
N10 Co3 N11 O26 179.9(2) . . . . ?
N10 Co3 N11 C27 5.5(2) . . . . ?
N10 C25 C27 N11 0.7(4) . . . . ?
N10 C25 C27 C49 179.7(4) . . . . ?
N11 Co3 N9 O23 5.6(2) . . . . ?
N11 Co3 N9 C1 -179.0(2) . . . . ?
N11 Co3 N10 O24 177.7(2) . . . . ?
N11 Co3 N10 C25 -5.1(2) . . . . ?
C19 N7 C20 C45 -0.2(4) . . . . ?
C19 C43 C61 C45 -0.2(5) . . . . ?
C20 N7 C19 C43 0.5(4) . . . . ?
C20 C45 C61 C43 0.5(5) . . . . ?
C4 C12 C29 C51 -0.1(7) . . . . ?
C4 C13 C31 C51 -0.8(7) . . . . ?
C5 C14 C33 C54 1.0(7) . . . . ?
C5 C15 C35 C54 -0.5(7) . . . . ?
C6 C16 C37 C57 1.9(10) . . . . ?
C6 C17 C39 C57 1(3) . . . . ?
C14 C5 C15 C35 1.7(6) . . . . ?
C14 C33 C54 C35 0.2(7) . . . . ?
C12 C4 C13 C31 0.5(6) . . . . ?
C12 C29 C51 C31 -0.2(8) . . . . ?
C48 C25 C27 N11 -178.2(3) . . . . ?
C48 C25 C27 C49 0.8(6) . . . . ?
C13 C4 C12 C29 0.0(6) . . . . ?
C13 C31 C51 C29 0.7(8) . . . . ?
C47 C1 C22 N8 178.7(3) . . . . ?
C47 C1 C22 C46 -1.7(6) . . . . ?
C15 C5 C14 C33 -1.9(6) . . . . ?
C33 C54 C35 C15 -0.5(8) . . . . ?
C16 C6 C17 C39 16(2) . . . . ?
C16 C6 C18 C40 -9.4(17) . . . . ?
C16 C37 C57 C40 -22.3(14) . . . . ?
C16 C37 C57 C39 15.5(14) . . . . ?
C37 C57 C40 C18 28(2) . . . . ?
C37 C57 C39 C17 -17(2) . . . . ?
C57 C40 C18 C6 -12(3) . . . . ?
C17 C6 C16 C37 -17.6(10) . . . . ?
C18 C6 C16 C37 13.3(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.620
_oxdiff_exptl_absorpt_empirical_full_min 0.305
