# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_skm052_p1q
_database_code_depnum_ccdc_archive 'CCDC 2105223'
loop_
_audit_author_name
_audit_author_address
'Sebastian Kaufmann'
;Karlsruhe Institute of Technology (KIT)
Germany
;
_audit_update_record             
;
2021-08-24 deposited with the CCDC.	2021-09-17 downloaded from the CCDC.
;
_audit_creation_date             2021-08-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3

#==============================================================================

_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C50 H76 N4 Ni2 Si2'
_chemical_formula_sum            'C50 H76 N4 Ni2 Si2'
_chemical_formula_weight         906.74
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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                   10.265(2)
_cell_length_b                   11.626(2)
_cell_length_c                   12.091(2)
_cell_angle_alpha                83.66(3)
_cell_angle_beta                 68.19(3)
_cell_angle_gamma                64.34(3)
_cell_volume                     1205.2(6)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8129
_cell_measurement_temperature    150
_cell_measurement_theta_max      30.04
_cell_measurement_theta_min      1.95
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.868
_exptl_absorpt_correction_T_max  0.9674
_exptl_absorpt_correction_T_min  0.8525
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in
F. R. Ahmed (Editor), "Crystallographic Computing",
Munksgaard, Copenhagen (1970), 255 - 270.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.213
_exptl_crystal_size_mid          0.142
_exptl_crystal_size_min          0.037
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0774
_diffrn_reflns_av_unetI/netI     0.1030
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.836
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11352
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.836
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.716
_diffrn_reflns_theta_min         1.947
_diffrn_ambient_temperature      150
_diffrn_detector                 'image plate (34cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE image plate'
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.836
_diffrn_measurement_device       'two-circle goniometer'
_diffrn_measurement_device_type  'IPDS 150K'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_collimation    '0.5mm monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube, 12x0.4mm long-fine focus'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3263
_reflns_number_total             4741
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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         0.914
_refine_diff_density_min         -0.351
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.892
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         4741
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0464
_refine_ls_restrained_S_all      0.892
_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)+(0.0478P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1068
_refine_ls_wR_factor_ref         0.1133
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C15(H15), C16(H16), C17(H17)
2.b Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,
 H10B,H10C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C),
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Ni1 Ni 0.06767(5) 0.38382(4) 0.61546(4) 0.01659(14) Uani 1 1 d . . . . .
Si1 Si 0.10032(10) 0.42652(9) 0.42272(8) 0.0159(2) Uani 1 1 d . . . . .
N1 N 0.3052(3) 0.3765(3) 0.3213(2) 0.0194(6) Uani 1 1 d . . . . .
N2 N 0.1560(3) 0.2896(3) 0.3312(2) 0.0201(6) Uani 1 1 d . . . . .
C1 C 0.0390(4) 0.3326(3) 0.8045(3) 0.0183(7) Uani 1 1 d . . . . .
C2 C 0.1882(4) 0.3336(3) 0.7457(3) 0.0204(7) Uani 1 1 d . . . . .
C3 C 0.2677(4) 0.2435(3) 0.6573(3) 0.0213(7) Uani 1 1 d . . . . .
C4 C 0.1717(4) 0.1834(3) 0.6623(3) 0.0225(8) Uani 1 1 d . . . . .
C5 C 0.0296(4) 0.2385(3) 0.7543(3) 0.0210(7) Uani 1 1 d . . . . .
C6 C -0.0780(4) 0.4065(4) 0.9112(3) 0.0272(8) Uani 1 1 d . . . . .
H6A H -0.148373 0.487090 0.890314 0.041 Uiso 1 1 calc GR . . . .
H6B H -0.029189 0.424645 0.958828 0.041 Uiso 1 1 calc GR . . . .
H6C H -0.136595 0.358380 0.957478 0.041 Uiso 1 1 calc GR . . . .
C7 C 0.2583(4) 0.4036(4) 0.7806(4) 0.0290(9) Uani 1 1 d . . . . .
H7A H 0.277713 0.463055 0.719559 0.043 Uiso 1 1 calc GR . . . .
H7B H 0.356377 0.342761 0.788236 0.043 Uiso 1 1 calc GR . . . .
H7C H 0.187378 0.451473 0.857253 0.043 Uiso 1 1 calc GR . . . .
C8 C 0.4343(4) 0.2030(4) 0.5849(4) 0.0316(9) Uani 1 1 d . . . . .
H8A H 0.457694 0.165831 0.507090 0.047 Uiso 1 1 calc GR . . . .
H8B H 0.496934 0.139088 0.626318 0.047 Uiso 1 1 calc GR . . . .
H8C H 0.458486 0.277299 0.573209 0.047 Uiso 1 1 calc GR . . . .
C9 C 0.2153(5) 0.0715(4) 0.5966(4) 0.0317(9) Uani 1 1 d . . . . .
H9A H 0.124131 0.072581 0.586919 0.048 Uiso 1 1 calc GR . . . .
H9B H 0.258776 -0.003502 0.639277 0.048 Uiso 1 1 calc GR . . . .
H9C H 0.293286 0.067574 0.517912 0.048 Uiso 1 1 calc GR . . . .
C10 C -0.0931(5) 0.1882(4) 0.7988(4) 0.0314(9) Uani 1 1 d . . . . .
H10A H -0.181634 0.244754 0.865261 0.047 Uiso 1 1 calc GR . . . .
H10B H -0.049941 0.101982 0.826064 0.047 Uiso 1 1 calc GR . . . .
H10C H -0.127322 0.185204 0.733956 0.047 Uiso 1 1 calc GR . . . .
C11 C 0.2951(4) 0.2888(3) 0.2743(3) 0.0178(7) Uani 1 1 d . . . . .
C12 C 0.4209(4) 0.2014(3) 0.1789(3) 0.0202(7) Uani 1 1 d . . . . .
C13 C 0.5256(4) 0.0873(4) 0.2117(3) 0.0241(8) Uani 1 1 d . . . . .
H13 H 0.509502 0.070646 0.293324 0.029 Uiso 1 1 calc R . . . .
C14 C 0.6458(4) 0.0049(4) 0.1261(3) 0.0267(8) Uani 1 1 d . . . . .
H14 H 0.718643 -0.072427 0.143177 0.032 Uiso 1 1 calc R . . . .
C15 C 0.6594(4) 0.0394(4) 0.0062(3) 0.0270(8) Uani 1 1 d . . . . .
H15 H 0.745864 -0.017700 -0.056340 0.032 Uiso 1 1 calc R . . . .
C16 C 0.5541(4) 0.1524(4) -0.0270(3) 0.0260(8) Uani 1 1 d . . . . .
H16 H 0.568923 0.168177 -0.108631 0.031 Uiso 1 1 calc R . . . .
C17 C 0.4346(4) 0.2350(3) 0.0591(3) 0.0222(7) Uani 1 1 d . . . . .
H17 H 0.361887 0.312457 0.042024 0.027 Uiso 1 1 calc R . . . .
C18 C 0.4268(4) 0.4252(3) 0.2850(3) 0.0209(7) Uani 1 1 d . . . . .
C19 C 0.4361(5) 0.4971(4) 0.1629(3) 0.0303(9) Uani 1 1 d . . . . .
H19A H 0.474966 0.434878 0.096853 0.045 Uiso 1 1 calc GR . . . .
H19B H 0.506418 0.538030 0.147473 0.045 Uiso 1 1 calc GR . . . .
H19C H 0.332570 0.562175 0.169805 0.045 Uiso 1 1 calc GR . . . .
C20 C 0.5865(4) 0.3183(4) 0.2801(3) 0.0268(8) Uani 1 1 d . . . . .
H20A H 0.572484 0.269640 0.351721 0.040 Uiso 1 1 calc GR . . . .
H20B H 0.655871 0.356976 0.276504 0.040 Uiso 1 1 calc GR . . . .
H20C H 0.631846 0.260949 0.209052 0.040 Uiso 1 1 calc GR . . . .
C21 C 0.3754(4) 0.5186(4) 0.3790(3) 0.0271(8) Uani 1 1 d . . . . .
H21A H 0.269110 0.581342 0.390924 0.041 Uiso 1 1 calc GR . . . .
H21B H 0.443789 0.562227 0.356982 0.041 Uiso 1 1 calc GR . . . .
H21C H 0.378348 0.475705 0.453122 0.041 Uiso 1 1 calc GR . . . .
C22 C 0.0807(4) 0.2187(3) 0.3091(3) 0.0209(7) Uani 1 1 d . . . . .
C23 C 0.1736(4) 0.0733(3) 0.3100(3) 0.0261(8) Uani 1 1 d . . . . .
H23A H 0.272309 0.044936 0.242228 0.039 Uiso 1 1 calc GR . . . .
H23B H 0.113886 0.029161 0.303872 0.039 Uiso 1 1 calc GR . . . .
H23C H 0.193749 0.053441 0.384625 0.039 Uiso 1 1 calc GR . . . .
C24 C 0.0479(4) 0.2669(4) 0.1896(3) 0.0274(8) Uani 1 1 d . . . . .
H24A H -0.005908 0.360435 0.195362 0.041 Uiso 1 1 calc GR . . . .
H24B H -0.016895 0.230788 0.178204 0.041 Uiso 1 1 calc GR . . . .
H24C H 0.146409 0.239110 0.121570 0.041 Uiso 1 1 calc GR . . . .
C25 C -0.0729(4) 0.2502(4) 0.4100(3) 0.0276(8) Uani 1 1 d . . . . .
H25A H -0.055519 0.226465 0.485380 0.041 Uiso 1 1 calc GR . . . .
H25B H -0.124306 0.202430 0.395639 0.041 Uiso 1 1 calc GR . . . .
H25C H -0.138565 0.342076 0.414610 0.041 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
Ni1 Si1 2.2579(12) . ?
Ni1 Si1 2.2632(13) 2_566 ?
Ni1 C1 2.240(4) . ?
Ni1 C2 2.230(4) . ?
Ni1 C3 2.196(4) . ?
Ni1 C4 2.212(4) . ?
Ni1 C5 2.299(4) . ?
Si1 N1 1.857(3) . ?
Si1 N2 1.793(3) . ?
N1 C11 1.278(4) . ?
N1 C18 1.491(5) . ?
N2 C11 1.332(5) . ?
N2 C22 1.450(4) . ?
C1 C2 1.434(5) . ?
C1 C5 1.364(5) . ?
C1 C6 1.429(5) . ?
C2 C3 1.328(5) . ?
C2 C7 1.471(5) . ?
C3 C4 1.417(6) . ?
C3 C8 1.481(5) . ?
C4 C5 1.384(5) . ?
C4 C9 1.408(5) . ?
C5 C10 1.510(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.430(4) . ?
C12 C13 1.428(5) . ?
C12 C17 1.428(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.325(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.431(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.426(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.328(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.606(6) . ?
C18 C20 1.554(5) . ?
C18 C21 1.442(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.541(5) . ?
C22 C24 1.592(5) . ?
C22 C25 1.509(5) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 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
Si1 Ni1 Si1 62.18(5) . 2_566 ?
Si1 Ni1 C5 142.84(9) . . ?
Si1 Ni1 C5 131.56(10) 2_566 . ?
C1 Ni1 Si1 177.56(10) . . ?
C1 Ni1 Si1 119.86(10) . 2_566 ?
C1 Ni1 C5 34.94(12) . . ?
C2 Ni1 Si1 131.43(9) . 2_566 ?
C2 Ni1 Si1 142.66(10) . . ?
C2 Ni1 C1 37.42(13) . . ?
C2 Ni1 C5 61.06(13) . . ?
C3 Ni1 Si1 118.47(10) . . ?
C3 Ni1 Si1 159.74(10) . 2_566 ?
C3 Ni1 C1 60.20(13) . . ?
C3 Ni1 C2 34.92(12) . . ?
C3 Ni1 C4 37.49(14) . . ?
C3 Ni1 C5 61.79(14) . . ?
C4 Ni1 Si1 119.40(9) . . ?
C4 Ni1 Si1 162.33(10) . 2_566 ?
C4 Ni1 C1 58.23(12) . . ?
C4 Ni1 C2 59.56(13) . . ?
C4 Ni1 C5 35.68(13) . . ?
Ni1 Si1 Ni1 117.82(5) . 2_566 ?
N1 Si1 Ni1 114.69(11) . . ?
N1 Si1 Ni1 114.53(11) . 2_566 ?
N2 Si1 Ni1 116.75(11) . 2_566 ?
N2 Si1 Ni1 113.10(12) . . ?
N2 Si1 N1 71.56(13) . . ?
C11 N1 Si1 88.7(2) . . ?
C11 N1 C18 131.7(3) . . ?
C18 N1 Si1 138.5(2) . . ?
C11 N2 Si1 89.9(2) . . ?
C11 N2 C22 132.4(3) . . ?
C22 N2 Si1 137.1(2) . . ?
C2 C1 Ni1 70.9(2) . . ?
C5 C1 Ni1 74.9(2) . . ?
C5 C1 C2 110.7(3) . . ?
C5 C1 C6 123.0(3) . . ?
C6 C1 Ni1 127.8(3) . . ?
C6 C1 C2 125.8(3) . . ?
C1 C2 Ni1 71.7(2) . . ?
C1 C2 C7 129.5(3) . . ?
C3 C2 Ni1 71.1(2) . . ?
C3 C2 C1 107.2(3) . . ?
C3 C2 C7 122.8(3) . . ?
C7 C2 Ni1 128.9(3) . . ?
C2 C3 Ni1 73.9(2) . . ?
C2 C3 C4 106.9(3) . . ?
C2 C3 C8 123.8(4) . . ?
C4 C3 Ni1 71.9(2) . . ?
C4 C3 C8 128.4(3) . . ?
C8 C3 Ni1 127.8(3) . . ?
C3 C4 Ni1 70.6(2) . . ?
C5 C4 Ni1 75.6(2) . . ?
C5 C4 C3 111.1(3) . . ?
C5 C4 C9 121.7(4) . . ?
C9 C4 Ni1 127.8(3) . . ?
C9 C4 C3 126.7(3) . . ?
C1 C5 Ni1 70.2(2) . . ?
C1 C5 C4 104.0(3) . . ?
C1 C5 C10 129.0(3) . . ?
C4 C5 Ni1 68.8(2) . . ?
C4 C5 C10 126.2(3) . . ?
C10 C5 Ni1 132.2(3) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 N2 109.7(3) . . ?
N1 C11 C12 123.1(3) . . ?
N2 C11 C12 127.1(3) . . ?
C13 C12 C11 116.7(3) . . ?
C13 C12 C17 125.0(3) . . ?
C17 C12 C11 118.3(3) . . ?
C12 C13 H13 120.7 . . ?
C14 C13 C12 118.7(3) . . ?
C14 C13 H13 120.7 . . ?
C13 C14 H14 121.9 . . ?
C13 C14 C15 116.1(4) . . ?
C15 C14 H14 121.9 . . ?
C14 C15 H15 117.3 . . ?
C16 C15 C14 125.4(3) . . ?
C16 C15 H15 117.3 . . ?
C15 C16 H16 120.9 . . ?
C17 C16 C15 118.2(3) . . ?
C17 C16 H16 120.9 . . ?
C12 C17 H17 121.7 . . ?
C16 C17 C12 116.6(3) . . ?
C16 C17 H17 121.7 . . ?
N1 C18 C19 111.6(3) . . ?
N1 C18 C20 111.8(3) . . ?
C20 C18 C19 112.6(3) . . ?
C21 C18 N1 104.7(3) . . ?
C21 C18 C19 107.9(3) . . ?
C21 C18 C20 107.8(3) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N2 C22 C23 111.8(3) . . ?
N2 C22 C24 107.1(3) . . ?
N2 C22 C25 109.1(3) . . ?
C23 C22 C24 115.3(3) . . ?
C25 C22 C23 105.1(3) . . ?
C25 C22 C24 108.3(3) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

_olex2_submission_original_sample_id SKM052
_olex2_submission_special_instructions 'No special instructions were received'
