# Electronic Supplementary Material (ESI) for ChemComm.
# 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. 
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data_man0121_2_0ma
_database_code_depnum_ccdc_archive 'CCDC 1923156'
loop_
_audit_author_name
_audit_author_address
'MAN W.'
;Hong Kong Baptist University
Hong Kong
;
_audit_update_record             
;
2019-06-15 deposited with the CCDC.	2021-12-22 downloaded from the CCDC.
;
_audit_creation_date             2019-04-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
loop_
_audit_author_email
wlman118@hkbu.edu.hk
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H34 Cl N3 O2 Os'
_chemical_formula_sum            'C24 H34 Cl N3 O2 Os'
_chemical_formula_weight         622.19
_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'
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'
Os Os -1.2165 7.6030 '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                   10.838(3)
_cell_length_b                   12.080(3)
_cell_length_c                   20.065(5)
_cell_angle_alpha                90
_cell_angle_beta                 96.319(5)
_cell_angle_gamma                90
_cell_volume                     2611.1(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9895
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.11
_cell_measurement_theta_min      2.65
_shelx_estimated_absorpt_T_max   0.753
_shelx_estimated_absorpt_T_min   0.188
_exptl_absorpt_coefficient_mu    5.009
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0805 before and 0.0508 after correction. The Ratio of minimum to maximum transmission is 0.6143. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1232
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0184
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            56874
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.117
_diffrn_reflns_theta_min         1.971
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5173
_reflns_number_total             5749
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.660
_refine_diff_density_min         -0.471
_refine_diff_density_rms         0.106
_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     286
_refine_ls_number_reflns         5749
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0224
_refine_ls_R_factor_gt           0.0188
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0262P)²+2.9978P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0508
_refine_ls_wR_factor_ref         0.0526
_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 Secondary CH2 refined with riding coordinates:
 C12(H12a,H12b), C3(H3a,H3b), C2(H2a,H2b), C23(H23a,H23b), C1(H1a,H1b),
 C21(H21a,H21b)
2.b Aromatic/amide H refined with riding coordinates:
 C14(H14), C7(H7), C16(H16), C5(H5)
2.c Idealised Me refined as rotating group:
 C11(H11a,H11b,H11c), C10(H10a,H10b,H10c), C20(H20a,H20b,H20c), C24(H24a,H24b,
 H24c), C19(H19a,H19b,H19c), C22(H22a,H22b,H22c)
;
_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
Os1 Os 0.47068(2) 0.41843(2) 0.24337(2) 0.02425(4) Uani 1 1 d . . . . .
Cl1 Cl 0.64756(7) 0.49857(7) 0.20367(4) 0.04219(17) Uani 1 1 d . . . . .
O2 O 0.37065(18) 0.52539(15) 0.17640(9) 0.0287(4) Uani 1 1 d . . . . .
O1 O 0.47858(19) 0.53986(16) 0.31055(10) 0.0328(4) Uani 1 1 d . . . . .
N3 N 0.2938(2) 0.37175(17) 0.26955(11) 0.0242(4) Uani 1 1 d . . . . .
C13 C 0.1577(2) 0.4990(2) 0.18814(13) 0.0253(5) Uani 1 1 d . . . . .
N2 N 0.4329(2) 0.29473(18) 0.16129(11) 0.0286(5) Uani 1 1 d . . . . .
C12 C 0.1919(2) 0.4577(2) 0.25825(13) 0.0263(5) Uani 1 1 d . . . . .
H12A H 0.116150 0.426411 0.274382 0.032 Uiso 1 1 calc R . . . .
H12B H 0.216840 0.522397 0.286913 0.032 Uiso 1 1 calc R . . . .
C8 C 0.4560(3) 0.6217(2) 0.41407(14) 0.0308(6) Uani 1 1 d . . . . .
C14 C 0.0328(3) 0.5115(2) 0.16337(14) 0.0289(5) Uani 1 1 d . . . . .
H14 H -0.030020 0.485368 0.188918 0.035 Uiso 1 1 calc R . . . .
N1 N 0.5418(2) 0.3214(2) 0.29106(13) 0.0364(5) Uani 1 1 d . . . . .
C9 C 0.4265(3) 0.5341(2) 0.36857(13) 0.0277(5) Uani 1 1 d . . . . .
C3 C 0.3068(3) 0.3494(2) 0.34399(13) 0.0294(6) Uani 1 1 d . . . . .
H3A H 0.369897 0.290896 0.354412 0.035 Uiso 1 1 calc R . . . .
H3B H 0.226770 0.321236 0.356535 0.035 Uiso 1 1 calc R . . . .
C17 C 0.2192(3) 0.5839(2) 0.08758(14) 0.0300(6) Uani 1 1 d . . . . .
C7 C 0.4060(3) 0.6241(3) 0.47459(14) 0.0355(6) Uani 1 1 d . . . . .
H7 H 0.428441 0.682828 0.505013 0.043 Uiso 1 1 calc R . . . .
C18 C 0.2512(3) 0.5363(2) 0.15101(13) 0.0257(5) Uani 1 1 d . . . . .
C16 C 0.0938(3) 0.5955(2) 0.06517(15) 0.0338(6) Uani 1 1 d . . . . .
H16 H 0.071591 0.628269 0.022478 0.041 Uiso 1 1 calc R . . . .
C2 C 0.2596(3) 0.2663(2) 0.23214(14) 0.0294(6) Uani 1 1 d . . . . .
H2A H 0.168931 0.254325 0.230169 0.035 Uiso 1 1 calc R . . . .
H2B H 0.301717 0.203095 0.256504 0.035 Uiso 1 1 calc R . . . .
C6 C 0.3239(3) 0.5435(3) 0.49249(14) 0.0353(6) Uani 1 1 d . . . . .
C4 C 0.3441(3) 0.4508(2) 0.38602(13) 0.0290(5) Uani 1 1 d . . . . .
C5 C 0.2936(3) 0.4589(2) 0.44704(14) 0.0336(6) Uani 1 1 d . . . . .
H5 H 0.236123 0.404155 0.457769 0.040 Uiso 1 1 calc R . . . .
C23 C 0.4557(3) 0.3403(3) 0.09359(14) 0.0362(6) Uani 1 1 d . . . . .
H23A H 0.544936 0.358901 0.094830 0.043 Uiso 1 1 calc R . . . .
H23B H 0.408306 0.410077 0.085936 0.043 Uiso 1 1 calc R . . . .
C15 C -0.0003(3) 0.5618(2) 0.10182(15) 0.0331(6) Uani 1 1 d . . . . .
C1 C 0.2967(3) 0.2704(2) 0.16155(14) 0.0284(5) Uani 1 1 d . . . . .
H1A H 0.277234 0.198466 0.139168 0.034 Uiso 1 1 calc R . . . .
H1B H 0.247679 0.328339 0.135742 0.034 Uiso 1 1 calc R . . . .
C11 C 0.5432(3) 0.7114(3) 0.39626(16) 0.0414(7) Uani 1 1 d . . . . .
H11A H 0.625572 0.698974 0.420473 0.062 Uiso 1 1 calc GR . . . .
H11B H 0.511634 0.783600 0.408835 0.062 Uiso 1 1 calc GR . . . .
H11C H 0.549066 0.709965 0.347876 0.062 Uiso 1 1 calc GR . . . .
C10 C 0.2693(4) 0.5490(3) 0.55873(16) 0.0469(8) Uani 1 1 d . . . . .
H10A H 0.322529 0.507832 0.592815 0.070 Uiso 1 1 calc GR . . . .
H10B H 0.186084 0.516241 0.553566 0.070 Uiso 1 1 calc GR . . . .
H10C H 0.264032 0.626421 0.572681 0.070 Uiso 1 1 calc GR . . . .
C20 C 0.3182(3) 0.6248(3) 0.04650(16) 0.0405(7) Uani 1 1 d . . . . .
H20A H 0.376571 0.672070 0.074316 0.061 Uiso 1 1 calc GR . . . .
H20B H 0.279574 0.667480 0.008201 0.061 Uiso 1 1 calc GR . . . .
H20C H 0.362770 0.561458 0.030233 0.061 Uiso 1 1 calc GR . . . .
C24 C 0.4208(4) 0.2638(3) 0.03444(17) 0.0518(9) Uani 1 1 d . . . . .
H24A H 0.432119 0.302603 -0.007347 0.078 Uiso 1 1 calc GR . . . .
H24B H 0.333783 0.241426 0.033898 0.078 Uiso 1 1 calc GR . . . .
H24C H 0.473968 0.197991 0.038613 0.078 Uiso 1 1 calc GR . . . .
C21 C 0.5030(3) 0.1876(2) 0.17496(17) 0.0396(7) Uani 1 1 d . . . . .
H21A H 0.467685 0.131124 0.142591 0.048 Uiso 1 1 calc R . . . .
H21B H 0.490259 0.161615 0.220480 0.048 Uiso 1 1 calc R . . . .
C19 C -0.1360(3) 0.5816(3) 0.07714(19) 0.0475(8) Uani 1 1 d . . . . .
H19A H -0.185891 0.519520 0.090725 0.071 Uiso 1 1 calc GR . . . .
H19B H -0.145853 0.587556 0.028132 0.071 Uiso 1 1 calc GR . . . .
H19C H -0.163926 0.650318 0.096624 0.071 Uiso 1 1 calc GR . . . .
C22 C 0.6416(3) 0.1965(3) 0.1701(2) 0.0598(10) Uani 1 1 d . . . . .
H22A H 0.655985 0.207820 0.123248 0.090 Uiso 1 1 calc GR . . . .
H22B H 0.682682 0.128125 0.186914 0.090 Uiso 1 1 calc GR . . . .
H22C H 0.675630 0.259262 0.197155 0.090 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
Os1 Cl1 2.3629(8) . ?
Os1 O2 2.0808(19) . ?
Os1 O1 1.9876(19) . ?
Os1 N3 2.119(2) . ?
Os1 N2 2.228(2) . ?
Os1 N1 1.649(3) . ?
O2 C18 1.344(3) . ?
O1 C9 1.350(3) . ?
N3 C12 1.515(3) . ?
N3 C3 1.509(3) . ?
N3 C2 1.504(3) . ?
C13 C12 1.500(4) . ?
C13 C14 1.399(4) . ?
C13 C18 1.397(4) . ?
N2 C23 1.511(4) . ?
N2 C1 1.506(3) . ?
N2 C21 1.510(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C8 C9 1.411(4) . ?
C8 C7 1.383(4) . ?
C8 C11 1.506(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.388(4) . ?
C9 C4 1.415(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.516(4) . ?
C17 C18 1.405(4) . ?
C17 C16 1.392(4) . ?
C17 C20 1.506(4) . ?
C7 H7 0.9500 . ?
C7 C6 1.393(5) . ?
C16 H16 0.9500 . ?
C16 C15 1.382(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C1 1.515(4) . ?
C6 C5 1.384(4) . ?
C6 C10 1.515(4) . ?
C4 C5 1.398(4) . ?
C5 H5 0.9500 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.519(4) . ?
C15 C19 1.518(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.520(5) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 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
O2 Os1 Cl1 84.96(6) . . ?
O2 Os1 N3 84.49(8) . . ?
O2 Os1 N2 84.19(8) . . ?
O1 Os1 Cl1 87.15(6) . . ?
O1 Os1 O2 87.71(8) . . ?
O1 Os1 N3 90.06(8) . . ?
O1 Os1 N2 170.72(9) . . ?
N3 Os1 Cl1 169.19(6) . . ?
N3 Os1 N2 84.67(8) . . ?
N2 Os1 Cl1 96.63(6) . . ?
N1 Os1 Cl1 98.16(9) . . ?
N1 Os1 O2 173.13(10) . . ?
N1 Os1 O1 98.53(11) . . ?
N1 Os1 N3 92.59(11) . . ?
N1 Os1 N2 89.35(11) . . ?
C18 O2 Os1 135.83(16) . . ?
C9 O1 Os1 123.76(17) . . ?
C12 N3 Os1 116.42(15) . . ?
C3 N3 Os1 107.70(16) . . ?
C3 N3 C12 104.95(19) . . ?
C2 N3 Os1 106.34(16) . . ?
C2 N3 C12 111.8(2) . . ?
C2 N3 C3 109.50(19) . . ?
C14 C13 C12 119.9(2) . . ?
C18 C13 C12 119.3(2) . . ?
C18 C13 C14 120.4(2) . . ?
C23 N2 Os1 112.64(16) . . ?
C1 N2 Os1 103.23(15) . . ?
C1 N2 C23 109.4(2) . . ?
C1 N2 C21 107.8(2) . . ?
C21 N2 Os1 113.10(18) . . ?
C21 N2 C23 110.3(2) . . ?
N3 C12 H12A 107.8 . . ?
N3 C12 H12B 107.8 . . ?
C13 C12 N3 118.0(2) . . ?
C13 C12 H12A 107.8 . . ?
C13 C12 H12B 107.8 . . ?
H12A C12 H12B 107.2 . . ?
C9 C8 C11 119.3(3) . . ?
C7 C8 C9 120.0(3) . . ?
C7 C8 C11 120.7(3) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(3) . . ?
C15 C14 H14 119.7 . . ?
O1 C9 C8 115.6(2) . . ?
O1 C9 C4 125.8(2) . . ?
C8 C9 C4 118.6(3) . . ?
N3 C3 H3A 108.9 . . ?
N3 C3 H3B 108.9 . . ?
N3 C3 C4 113.4(2) . . ?
H3A C3 H3B 107.7 . . ?
C4 C3 H3A 108.9 . . ?
C4 C3 H3B 108.9 . . ?
C18 C17 C20 120.7(3) . . ?
C16 C17 C18 118.0(3) . . ?
C16 C17 C20 121.3(3) . . ?
C8 C7 H7 118.8 . . ?
C8 C7 C6 122.4(3) . . ?
C6 C7 H7 118.8 . . ?
O2 C18 C13 119.4(2) . . ?
O2 C18 C17 121.0(2) . . ?
C13 C18 C17 119.6(3) . . ?
C17 C16 H16 118.3 . . ?
C15 C16 C17 123.4(3) . . ?
C15 C16 H16 118.3 . . ?
N3 C2 H2A 109.4 . . ?
N3 C2 H2B 109.4 . . ?
N3 C2 C1 111.3(2) . . ?
H2A C2 H2B 108.0 . . ?
C1 C2 H2A 109.4 . . ?
C1 C2 H2B 109.4 . . ?
C7 C6 C10 121.2(3) . . ?
C5 C6 C7 117.2(3) . . ?
C5 C6 C10 121.6(3) . . ?
C9 C4 C3 125.0(2) . . ?
C5 C4 C9 119.0(3) . . ?
C5 C4 C3 116.0(3) . . ?
C6 C5 C4 122.8(3) . . ?
C6 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
N2 C23 H23A 108.4 . . ?
N2 C23 H23B 108.4 . . ?
N2 C23 C24 115.4(2) . . ?
H23A C23 H23B 107.5 . . ?
C24 C23 H23A 108.4 . . ?
C24 C23 H23B 108.4 . . ?
C14 C15 C19 120.3(3) . . ?
C16 C15 C14 118.0(3) . . ?
C16 C15 C19 121.7(3) . . ?
N2 C1 C2 111.8(2) . . ?
N2 C1 H1A 109.3 . . ?
N2 C1 H1B 109.3 . . ?
C2 C1 H1A 109.3 . . ?
C2 C1 H1B 109.3 . . ?
H1A C1 H1B 107.9 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C6 C10 H10A 109.5 . . ?
C6 C10 H10B 109.5 . . ?
C6 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N2 C21 H21A 108.7 . . ?
N2 C21 H21B 108.7 . . ?
N2 C21 C22 114.2(3) . . ?
H21A C21 H21B 107.6 . . ?
C22 C21 H21A 108.7 . . ?
C22 C21 H21B 108.7 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 0.500 231.7 19.0 ?
2 0.500 0.000 0.000 231.7 19.0 ?


_olex2_submission_special_instructions 'No special instructions were received'
