# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2025

####################################################################### 
# 
# 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_241113g_auto
_database_code_depnum_ccdc_archive 'CCDC 2402419'
loop_
_audit_author_name
_audit_author_address
li
;Shandong University
China
;
_audit_update_record             
;
2025-11-04 deposited with the CCDC.	2025-11-19 downloaded from the CCDC.
;
_audit_creation_date             2025-10-31
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '4(C40 H59 Cl N6 Ni Si2), 1[C4H10O], 1[C4H10O]'
_chemical_formula_sum            'C160 H236 Cl4 N24 Ni4 Si8'
_chemical_formula_weight         3097.07
_chemical_melting_point          ?
_chemical_oxdiff_formula         NiSiClNC
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'
Cl Cl 0.3639 0.7018 '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'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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                   13.5659(2)
_cell_length_b                   24.4752(3)
_cell_length_c                   27.3535(3)
_cell_angle_alpha                86.6620(10)
_cell_angle_beta                 83.5230(10)
_cell_angle_gamma                87.2840(10)
_cell_volume                     9001.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    51464
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      76.2990
_cell_measurement_theta_min      3.4590
_shelx_estimated_absorpt_T_max   0.910
_shelx_estimated_absorpt_T_min   0.861
_exptl_absorpt_coefficient_mu    1.921
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.143
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3312
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0530
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.939
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            98903
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.939
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.538
_diffrn_reflns_theta_min         3.499
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     60.00 117.00   0.50    0.10    --   48.67  42.00 -54.00  114
  2  ω     94.00 174.00   0.50    0.45    --  106.65  42.00 -54.00  160
  3  ω     92.00 172.00   0.50    0.45    --  106.65  57.00   0.00  160
  4  ω    117.00 176.00   0.50    0.45    --  106.65  38.00  30.00  118
  5  ω     96.00 178.00   0.50    0.45    --  106.65  19.00  90.00  164
  6  ω    -23.00  47.00   0.50    0.10    --   48.67 -42.00 153.00  140
  7  ω     40.00 105.00   0.50    0.45    --  106.65 -99.00  60.00  130
  8  ω     38.00 111.00   0.50    0.45    --  106.65-125.00 -90.00  146
  9  ω     34.00 111.00   0.50    0.45    --  106.65-125.00-120.00  154
 10  ω     37.00 106.00   0.50    0.45    --  106.65 -99.00 -90.00  138
 11  ω     34.00 106.00   0.50    0.45    --  106.65 -99.00 -30.00  144
 12  ω     34.00 106.00   0.50    0.45    --  106.65 -99.00  30.00  144
 13  ω     34.00 104.00   0.50    0.45    --  106.65 -99.00 120.00  140
 14  ω     34.00 105.00   0.50    0.45    --  106.65 -99.00 150.00  142
 15  ω    -71.00  20.00   0.50    0.10    --  -48.67  77.00 -30.00  182
 16  ω    -45.00 -19.00   0.50    0.45    --  -91.75  42.00 -54.00   52
 17  ω    -47.00  20.00   0.50    0.10    --  -48.67  42.00 -54.00  134
 18  ω    -27.00  27.00   0.50    0.10    --  -48.67  19.00  90.00  108
 19  ω   -163.00 -86.00   0.50    0.45    --  -91.75 -42.00 153.00  154
 20  ω   -120.00 -36.00   0.50    0.10    --  -48.67 -42.00 153.00  168
 21  ω   -163.00 -73.00   0.50    0.45    --  -91.75 -77.00-150.00  180
 22  ω   -163.00 -87.00   0.50    0.45    --  -91.75 -99.00 -60.00  152
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0958005000
_diffrn_orient_matrix_UB_12      -0.0292129000
_diffrn_orient_matrix_UB_13      0.0195701000
_diffrn_orient_matrix_UB_21      0.0622605000
_diffrn_orient_matrix_UB_22      -0.0470381000
_diffrn_orient_matrix_UB_23      0.0228702000
_diffrn_orient_matrix_UB_31      -0.0055200000
_diffrn_orient_matrix_UB_32      0.0302684000
_diffrn_orient_matrix_UB_33      0.0481248000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                27983
_reflns_number_total             35506
_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       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.360
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1895
_refine_ls_number_reflns         35506
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0410
_refine_ls_restrained_S_all      1.037
_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)+(0.0478P)²+1.4284P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1040
_refine_ls_wR_factor_ref         0.1113
_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. Uiso/Uaniso restraints and constraints
C16 \\sim C18 \\sim C18A \\sim C17A \\sim C17 \\sim C19A \\sim C19: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
3. Same fragment restrains
{C16, C17A, C18A, C19A} sigma for 1-2: 0.01, 1-3: 0.02
as in
{C16, C19, C17, C18}
4. Others
 Sof(C17A)=Sof(H17D)=Sof(H17E)=Sof(H17F)=Sof(C18A)=Sof(H18D)=Sof(H18E)=
 Sof(H18F)=Sof(C19A)=Sof(H19D)=Sof(H19E)=Sof(H19F)=1-FVAR(1)
 Sof(C19)=Sof(H19A)=Sof(H19B)=Sof(H19C)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(H17C)=
 Sof(C18)=Sof(H18A)=Sof(H18B)=Sof(H18C)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C87(H87A,H87B), C127(H12A,H12B), C7(H7A,H7B), C47(H47A,H47B), C9(H9A,H9B),
 C49(H49A,H49B), C129(H12F,H12G)
5.b Aromatic/amide H refined with riding coordinates:
 C25(H25), C125(H125), C4(H4), C5(H5), C123(H123), C84(H84), C124(H124),
 C6(H6), C45(H45), C86(H86), C120(H120), C85(H85), C44(H44), C134(H134),
 C24(H24), C46(H46), C148(H148), C116(H116), C36(H36), C61(H61), C149(H149),
 C105(H105), C119(H119), C117(H117), C40(H40), C118(H118), C64(H64), C62(H62),
 C65(H65), C136(H136), C21(H21), C133(H133), C77(H77), C23(H23), C37(H37),
 C150(H150), C22(H22), C38(H38), C63(H63), C101(H101), C104(H104), C151(H151),
 C137(H137), C39(H39), C76(H76), C135(H135), C103(H103), C152(H152), C102(H102),
  C80(H80), C79(H79), C78(H78)
5.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C128(H12C,H12D,
 H12E), C88(H88A,H88B,H88C), C59(H59A,H59B,H59C), C109(H10D,H10E,H10F),
 C68(H68A,H68B,H68C), C32(H32A,H32B,H32C), C70(H70A,H70B,H70C), C8(H8A,H8B,H8C),
  C144(H14D,H14E,H14F), C89(H89A,H89B,H89C), C33(H33A,H33B,H33C), C69(H69A,H69B,
 H69C), C98(H98A,H98B,H98C), C145(H14G,H14H,H14I), C34(H34A,H34B,H34C),
 C48(H48A,H48B,H48C), C13(H13A,H13B,H13C), C110(H11A,H11B,H11C), C156(H15D,H15E,
 H15F), C50(H50A,H50B,H50C), C108(H10G,H10H,H10I), C143(H14J,H14K,H14L),
 C30(H30A,H30B,H30C), C141(H14M,H14N,H14O), C113(H11D,H11E,H11F), C97(H97A,H97B,
 H97C), C155(H15G,H15H,H15I), C92(H92A,H92B,H92C), C58(H58A,H58B,H58C),
 C10(H10A,H10B,H10C), C55(H55A,H55B,H55C), C57(H57A,H57B,H57C), C73(H73A,H73B,
 H73C), C160(H16A,H16B,H16C), C93(H93A,H93B,H93C), C140(H14P,H14Q,H14R),
 C159(H15J,H15K,H15L), C112(H11G,H11H,H11I), C130(H13D,H13E,H13F), C99(H99A,
 H99B,H99C), C15(H15A,H15B,H15C), C94(H94A,H94B,H94C), C14(H14A,H14B,H14C),
 C72(H72A,H72B,H72C), C139(H13G,H13H,H13I), C74(H74A,H74B,H74C), C154(H15M,H15N,
 H15O), C158(H15P,H15Q,H15R), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C),
 C29(H29A,H29B,H29C), C114(H11J,H11K,H11L), C28(H28A,H28B,H28C), C17A(H17D,H17E,
 H17F), C18A(H18D,H18E,H18F), C19A(H19D,H19E,H19F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
Ni3 Ni 0.54058(2) -0.00233(2) 0.24829(2) 0.02976(7) Uani 1 1 d . . . . .
Ni2 Ni 0.04499(2) 0.25266(2) 0.51723(2) 0.02871(7) Uani 1 1 d . . . . .
Ni4 Ni 0.90452(2) 0.26238(2) 0.01472(2) 0.02776(7) Uani 1 1 d . . . . .
Ni1 Ni 0.57325(2) 0.50548(2) 0.75741(2) 0.02767(7) Uani 1 1 d . . . . .
Cl2 Cl -0.01956(4) 0.33157(2) 0.54559(2) 0.04506(12) Uani 1 1 d . . . . .
Cl1 Cl 0.59514(5) 0.59002(2) 0.72496(2) 0.04753(13) Uani 1 1 d . . . . .
Si8 Si 0.79856(4) 0.26894(2) -0.04091(2) 0.02793(10) Uani 1 1 d . . . . .
Cl3 Cl 0.56080(5) 0.07899(2) 0.20865(2) 0.04871(13) Uani 1 1 d . . . . .
Si6 Si 0.64982(4) -0.05014(2) 0.20197(2) 0.02914(10) Uani 1 1 d . . . . .
Si2 Si 0.45937(4) 0.52769(2) 0.81649(2) 0.02858(10) Uani 1 1 d . . . . .
Si7 Si 1.01835(4) 0.28268(2) 0.06054(2) 0.02990(11) Uani 1 1 d . . . . .
Si3 Si 0.17638(4) 0.25174(2) 0.55648(2) 0.02990(11) Uani 1 1 d . . . . .
Si4 Si -0.06995(4) 0.23144(2) 0.47147(2) 0.03197(11) Uani 1 1 d . . . . .
Si5 Si 0.44169(4) 0.02467(2) 0.31150(2) 0.03223(11) Uani 1 1 d . . . . .
Si1 Si 0.69274(4) 0.46235(2) 0.71280(2) 0.03134(11) Uani 1 1 d . . . . .
Cl4 Cl 0.93549(5) 0.17271(2) 0.01757(2) 0.05465(15) Uani 1 1 d . . . . .
N22 N 0.75437(12) 0.33575(6) -0.04191(6) 0.0300(3) Uani 1 1 d . . . . .
N23 N 0.69777(12) 0.22436(6) -0.05102(6) 0.0305(3) Uani 1 1 d . . . . .
N16 N 0.62606(12) -0.11776(6) 0.21769(6) 0.0297(3) Uani 1 1 d . . . . .
N24 N 0.82158(12) 0.24233(6) -0.10363(6) 0.0302(3) Uani 1 1 d . . . . .
N20 N 1.07478(12) 0.24574(7) 0.11178(6) 0.0339(3) Uani 1 1 d . . . . .
N18 N 0.69643(12) -0.04435(6) 0.13604(6) 0.0304(3) Uani 1 1 d . . . . .
N11 N -0.20599(12) 0.24395(7) 0.48233(6) 0.0323(3) Uani 1 1 d . . . . .
N5 N 0.35747(12) 0.57932(7) 0.81336(6) 0.0315(3) Uani 1 1 d . . . . .
N6 N 0.47416(12) 0.58163(7) 0.85906(6) 0.0329(3) Uani 1 1 d . . . . .
N7 N 0.26647(12) 0.30501(7) 0.56143(6) 0.0331(3) Uani 1 1 d . . . . .
N17 N 0.78561(12) -0.04237(7) 0.19560(6) 0.0328(3) Uani 1 1 d . . . . .
N2 N 0.73496(12) 0.46674(7) 0.64641(6) 0.0333(3) Uani 1 1 d . . . . .
N21 N 1.15063(12) 0.26595(7) 0.04062(6) 0.0320(3) Uani 1 1 d . . . . .
N12 N -0.11533(12) 0.26618(7) 0.41571(6) 0.0359(4) Uani 1 1 d . . . . .
N15 N 0.33341(13) 0.07292(7) 0.31436(6) 0.0345(3) Uani 1 1 d . . . . .
N8 N 0.17875(12) 0.26594(7) 0.62217(6) 0.0320(3) Uani 1 1 d . . . . .
N4 N 0.42120(12) 0.46765(7) 0.84639(6) 0.0328(3) Uani 1 1 d . . . . .
N13 N 0.41616(13) -0.03242(7) 0.34920(6) 0.0354(4) Uani 1 1 d . . . . .
N9 N 0.24257(12) 0.19198(7) 0.54330(7) 0.0369(4) Uani 1 1 d . . . . .
N1 N 0.82269(13) 0.48350(7) 0.70335(6) 0.0374(4) Uani 1 1 d . . . . .
N14 N 0.46653(13) 0.08312(7) 0.34699(6) 0.0363(4) Uani 1 1 d . . . . .
N3 N 0.68970(13) 0.39473(7) 0.73329(6) 0.0358(4) Uani 1 1 d . . . . .
N19 N 0.99796(13) 0.35027(7) 0.07290(6) 0.0365(4) Uani 1 1 d . . . . .
N10 N -0.04610(13) 0.16340(7) 0.46017(6) 0.0387(4) Uani 1 1 d . . . . .
C131 C 0.74699(14) 0.20835(7) -0.09308(7) 0.0288(4) Uani 1 1 d . . . . .
C81 C 0.51747(14) -0.07417(7) 0.28179(7) 0.0280(4) Uani 1 1 d . . . . .
C126 C 0.79889(13) 0.36716(7) -0.00946(6) 0.0266(3) Uani 1 1 d . . . . .
C121 C 0.87407(13) 0.34099(7) 0.01703(6) 0.0260(3) Uani 1 1 d . . . . .
C106 C 0.78817(15) -0.03444(7) 0.14671(7) 0.0303(4) Uani 1 1 d . . . . .
C3 C 0.47997(13) 0.42221(7) 0.82822(7) 0.0286(4) Uani 1 1 d . . . . .
C1 C 0.55321(13) 0.43216(7) 0.78783(6) 0.0257(3) Uani 1 1 d . . . . .
C42 C 0.04776(15) 0.14447(8) 0.47391(7) 0.0338(4) Uani 1 1 d . . . . .
C146 C 1.15763(14) 0.23438(8) 0.08191(7) 0.0304(4) Uani 1 1 d . . . . .
C41 C 0.09936(14) 0.17981(8) 0.50024(7) 0.0307(4) Uani 1 1 d . . . . .
C26 C 0.81934(15) 0.48885(8) 0.65463(7) 0.0334(4) Uani 1 1 d . . . . .
C82 C 0.55977(14) -0.12334(7) 0.26108(7) 0.0292(4) Uani 1 1 d . . . . .
C83 C 0.45588(14) -0.08082(8) 0.32687(7) 0.0300(4) Uani 1 1 d . . . . .
C25 C 0.30673(15) 0.68976(8) 0.88141(7) 0.0339(4) Uani 1 1 d . . . . .
H25 H 0.274011 0.664141 0.904380 0.041 Uiso 1 1 calc R U . . .
C125 C 0.77011(14) 0.42251(8) -0.00401(7) 0.0317(4) Uani 1 1 d . . . . .
H125 H 0.718376 0.438919 -0.021265 0.038 Uiso 1 1 calc R U . . .
C11 C 0.40195(14) 0.61260(8) 0.84048(7) 0.0300(4) Uani 1 1 d . . . . .
C122 C 0.92068(14) 0.37456(8) 0.04720(7) 0.0295(4) Uani 1 1 d . . . . .
C66 C -0.20680(14) 0.27206(8) 0.43888(7) 0.0316(4) Uani 1 1 d . . . . .
C51 C 0.24168(13) 0.30605(8) 0.60992(7) 0.0302(4) Uani 1 1 d . . . . .
C20 C 0.37912(14) 0.67198(8) 0.84533(7) 0.0321(4) Uani 1 1 d . . . . .
C35 C 0.89420(15) 0.51370(9) 0.61725(7) 0.0366(4) Uani 1 1 d . . . . .
C115 C 0.87609(15) -0.02013(8) 0.11226(7) 0.0329(4) Uani 1 1 d . . . . .
C43 C 0.19159(14) 0.15885(8) 0.51465(7) 0.0326(4) Uani 1 1 d . . . . .
C2 C 0.61306(14) 0.38600(7) 0.77202(6) 0.0278(4) Uani 1 1 d . . . . .
C147 C 1.23808(14) 0.19317(8) 0.09163(7) 0.0321(4) Uani 1 1 d . . . . .
C87 C 0.67830(15) -0.16528(8) 0.19530(8) 0.0349(4) Uani 1 1 d . . . . .
H87A H 0.699441 -0.191097 0.221718 0.042 Uiso 1 1 calc R U . . .
H87B H 0.738828 -0.153080 0.174700 0.042 Uiso 1 1 calc R U . . .
C4 C 0.59892(15) 0.33345(8) 0.79417(7) 0.0328(4) Uani 1 1 d . . . . .
H4 H 0.639544 0.303156 0.782622 0.039 Uiso 1 1 calc R U . . .
C5 C 0.46604(15) 0.36963(8) 0.85018(7) 0.0346(4) Uani 1 1 d . . . . .
H5 H 0.415779 0.364004 0.876888 0.041 Uiso 1 1 calc R U . . .
C127 C 0.68131(15) 0.36049(8) -0.07277(8) 0.0351(4) Uani 1 1 d . . . . .
H12A H 0.631575 0.382395 -0.052007 0.042 Uiso 1 1 calc R U . . .
H12B H 0.646169 0.330898 -0.085812 0.042 Uiso 1 1 calc R U . . .
C123 C 0.89260(15) 0.42998(8) 0.05180(8) 0.0359(4) Uani 1 1 d . . . . .
H123 H 0.925284 0.451613 0.072247 0.043 Uiso 1 1 calc R U . . .
C95 C 0.38455(15) 0.11018(8) 0.33360(7) 0.0329(4) Uani 1 1 d . . . . .
C60 C 0.28136(15) 0.34298(9) 0.64383(7) 0.0340(4) Uani 1 1 d . . . . .
C84 C 0.43373(15) -0.13241(8) 0.34876(8) 0.0362(4) Uani 1 1 d . . . . .
H84 H 0.391140 -0.135554 0.378750 0.043 Uiso 1 1 calc R U . . .
C132 C 0.72502(14) 0.16089(8) -0.12126(7) 0.0334(4) Uani 1 1 d . . . . .
C100 C 0.35690(16) 0.16918(8) 0.33719(8) 0.0381(4) Uani 1 1 d . . . . .
C124 C 0.81732(15) 0.45294(8) 0.02651(8) 0.0362(4) Uani 1 1 d . . . . .
H124 H 0.797608 0.490373 0.030162 0.043 Uiso 1 1 calc R U . . .
C107 C 0.64999(16) -0.03118(8) 0.09010(7) 0.0363(4) Uani 1 1 d . . . . .
C6 C 0.52533(16) 0.32610(8) 0.83298(8) 0.0363(4) Uani 1 1 d . . . . .
H6 H 0.515532 0.290498 0.847987 0.044 Uiso 1 1 calc R U . . .
C45 C 0.23167(16) 0.10720(9) 0.50126(8) 0.0394(4) Uani 1 1 d . . . . .
H45 H 0.294753 0.094613 0.510317 0.047 Uiso 1 1 calc R U . . .
C86 C 0.53752(16) -0.17491(8) 0.28333(7) 0.0358(4) Uani 1 1 d . . . . .
H86 H 0.565936 -0.207130 0.268761 0.043 Uiso 1 1 calc R U . . .
C157 C 1.03900(17) 0.22355(10) 0.16165(7) 0.0423(5) Uani 1 1 d . . . . .
C142 C 0.61276(15) 0.20151(8) -0.01909(8) 0.0362(4) Uani 1 1 d . . . . .
C90 C 0.35802(18) -0.03387(10) 0.39751(8) 0.0425(5) Uani 1 1 d . . . . .
H90A H 0.325(2) 0.0010(12) 0.4001(9) 0.051 Uiso 1 1 d . U . . .
C120 C 0.91012(17) 0.03286(9) 0.10686(8) 0.0411(5) Uani 1 1 d . . . . .
H120 H 0.873941 0.061557 0.123777 0.049 Uiso 1 1 calc R U . . .
C85 C 0.47417(17) -0.17886(8) 0.32652(8) 0.0389(4) Uani 1 1 d . . . . .
H85 H 0.458214 -0.213965 0.341116 0.047 Uiso 1 1 calc R U . . .
C44 C 0.08697(17) 0.09245(9) 0.46116(8) 0.0400(5) Uani 1 1 d . . . . .
H44 H 0.050788 0.069635 0.443322 0.048 Uiso 1 1 calc R U . . .
C75 C -0.29109(16) 0.30394(9) 0.41967(7) 0.0392(5) Uani 1 1 d . . . . .
C56 C 0.11265(16) 0.25455(10) 0.66798(8) 0.0412(5) Uani 1 1 d . . . . .
C138 C 0.90960(14) 0.23921(8) -0.14058(7) 0.0339(4) Uani 1 1 d . . . . .
C67 C -0.27850(15) 0.24564(9) 0.52707(7) 0.0360(4) Uani 1 1 d . . . . .
C134 C 0.66544(16) 0.16836(10) -0.15945(8) 0.0428(5) Uani 1 1 d . . . . .
H134 H 0.639006 0.203840 -0.167956 0.051 Uiso 1 1 calc R U . . .
C24 C 0.28234(17) 0.74560(9) 0.88370(8) 0.0413(5) Uani 1 1 d . . . . .
H24 H 0.232572 0.757944 0.908323 0.050 Uiso 1 1 calc R U . . .
C46 C 0.17844(17) 0.07480(9) 0.47475(8) 0.0417(5) Uani 1 1 d . . . . .
H46 H 0.205411 0.039795 0.465776 0.050 Uiso 1 1 calc R U . . .
C153 C 1.21089(16) 0.26673(9) -0.00768(8) 0.0403(5) Uani 1 1 d . . . . .
C31 C 0.68125(16) 0.47098(9) 0.60203(7) 0.0386(4) Uani 1 1 d . . . . .
C148 C 1.22968(19) 0.13924(9) 0.08027(9) 0.0472(5) Uani 1 1 d . . . . .
H148 H 1.173146 0.128847 0.066014 0.057 Uiso 1 1 calc R U . . .
C116 C 0.92844(16) -0.06143(8) 0.08617(8) 0.0383(4) Uani 1 1 d . . . . .
H116 H 0.904061 -0.097353 0.088724 0.046 Uiso 1 1 calc R U . . .
C36 C 0.88592(18) 0.56903(9) 0.60261(8) 0.0423(5) Uani 1 1 d . . . . .
H36 H 0.833685 0.591618 0.617737 0.051 Uiso 1 1 calc R U . . .
C91 C 0.24213(16) 0.07773(9) 0.28924(8) 0.0393(4) Uani 1 1 d . . . . .
C7 C 0.34453(16) 0.46031(9) 0.88838(7) 0.0402(5) Uani 1 1 d . . . . .
H7A H 0.305008 0.428670 0.882929 0.048 Uiso 1 1 calc R U . . .
H7B H 0.299193 0.493231 0.889501 0.048 Uiso 1 1 calc R U . . .
C61 C 0.36448(16) 0.32496(10) 0.66652(8) 0.0415(5) Uani 1 1 d . . . . .
H61 H 0.392523 0.289124 0.661625 0.050 Uiso 1 1 calc R U . . .
C52 C 0.32535(17) 0.34220(9) 0.52690(8) 0.0410(5) Uani 1 1 d . . . . .
C71 C -0.07647(17) 0.27618(11) 0.36361(8) 0.0466(5) Uani 1 1 d . . . . .
C16 C 0.27627(15) 0.59057(9) 0.78188(7) 0.0402(5) Uani 1 1 d D U . . .
C19 C 0.1791(2) 0.59483(18) 0.81450(14) 0.0543(10) Uani 0.764(5) 1 d D U P A 1
H19A H 0.124683 0.602316 0.794040 0.082 Uiso 0.764(5) 1 calc R U P A 1
H19B H 0.181001 0.624662 0.836722 0.082 Uiso 0.764(5) 1 calc R U P A 1
H19C H 0.168534 0.560262 0.833923 0.082 Uiso 0.764(5) 1 calc R U P A 1
C17 C 0.2801(3) 0.54541(14) 0.74841(13) 0.0532(9) Uani 0.764(5) 1 d D U P A 1
H17A H 0.270811 0.510685 0.767746 0.080 Uiso 0.764(5) 1 calc R U P A 1
H17B H 0.344753 0.544032 0.728425 0.080 Uiso 0.764(5) 1 calc R U P A 1
H17C H 0.227308 0.551414 0.726779 0.080 Uiso 0.764(5) 1 calc R U P A 1
C18 C 0.2911(3) 0.64657(15) 0.75013(14) 0.0654(11) Uani 0.764(5) 1 d D U P A 1
H18A H 0.244959 0.649496 0.724897 0.098 Uiso 0.764(5) 1 calc R U P A 1
H18B H 0.359473 0.647470 0.734205 0.098 Uiso 0.764(5) 1 calc R U P A 1
H18C H 0.277982 0.677309 0.771676 0.098 Uiso 0.764(5) 1 calc R U P A 1
C128 C 0.72506(18) 0.39700(9) -0.11570(8) 0.0421(5) Uani 1 1 d . . . . .
H12C H 0.768111 0.374793 -0.138746 0.063 Uiso 1 1 calc R U . . .
H12D H 0.764029 0.424929 -0.103438 0.063 Uiso 1 1 calc R U . . .
H12E H 0.671312 0.414853 -0.132662 0.063 Uiso 1 1 calc R U . . .
C149 C 1.32105(16) 0.20787(10) 0.11229(9) 0.0446(5) Uani 1 1 d . . . . .
H149 H 1.327638 0.244789 0.119956 0.054 Uiso 1 1 calc R U . . .
C88 C 0.61545(18) -0.19517(9) 0.16367(8) 0.0438(5) Uani 1 1 d . . . . .
H88A H 0.596665 -0.170338 0.136536 0.066 Uiso 1 1 calc R U . . .
H88B H 0.555448 -0.207504 0.183822 0.066 Uiso 1 1 calc R U . . .
H88C H 0.653712 -0.226925 0.150244 0.066 Uiso 1 1 calc R U . . .
C105 C 0.30361(18) 0.18744(10) 0.37983(9) 0.0459(5) Uani 1 1 d . . . . .
H105 H 0.287072 0.162549 0.407160 0.055 Uiso 1 1 calc R U . . .
C59 C 0.17377(19) 0.23585(10) 0.70986(8) 0.0473(5) Uani 1 1 d . . . . .
H59A H 0.218228 0.204806 0.699795 0.071 Uiso 1 1 calc R U . . .
H59B H 0.129175 0.224636 0.739061 0.071 Uiso 1 1 calc R U . . .
H59C H 0.213172 0.266094 0.717640 0.071 Uiso 1 1 calc R U . . .
C119 C 0.99673(18) 0.04365(10) 0.07679(9) 0.0497(5) Uani 1 1 d . . . . .
H119 H 1.019671 0.079885 0.072837 0.060 Uiso 1 1 calc R U . . .
C117 C 1.01549(17) -0.05066(10) 0.05662(8) 0.0459(5) Uani 1 1 d . . . . .
H117 H 1.051447 -0.079110 0.039247 0.055 Uiso 1 1 calc R U . . .
C47 C 0.33308(16) 0.17142(10) 0.56439(10) 0.0476(5) Uani 1 1 d . . . . .
H47A H 0.365743 0.202770 0.576068 0.057 Uiso 1 1 calc R U . . .
H47B H 0.379348 0.155143 0.538030 0.057 Uiso 1 1 calc R U . . .
C12 C 0.55231(17) 0.59553(9) 0.88923(9) 0.0423(5) Uani 1 1 d . . . . .
C111 C 0.86066(17) -0.03814(9) 0.23026(8) 0.0428(5) Uani 1 1 d . . . . .
C109 C 0.53938(17) -0.03870(10) 0.10363(9) 0.0447(5) Uani 1 1 d . . . . .
H10D H 0.504787 -0.032006 0.074143 0.067 Uiso 1 1 calc R U . . .
H10E H 0.513425 -0.012735 0.128355 0.067 Uiso 1 1 calc R U . . .
H10F H 0.528704 -0.076198 0.117108 0.067 Uiso 1 1 calc R U . . .
C96 C 0.55699(18) 0.10342(10) 0.36448(9) 0.0459(5) Uani 1 1 d . . . . .
C40 C 0.97130(17) 0.48090(10) 0.59557(9) 0.0467(5) Uani 1 1 d . . . . .
H40 H 0.977215 0.443098 0.605319 0.056 Uiso 1 1 calc R U . . .
C68 C -0.22700(18) 0.21458(10) 0.56759(8) 0.0457(5) Uani 1 1 d . . . . .
H68A H -0.272324 0.212920 0.598140 0.068 Uiso 1 1 calc R U . . .
H68B H -0.167394 0.233512 0.572958 0.068 Uiso 1 1 calc R U . . .
H68C H -0.208162 0.177323 0.557741 0.068 Uiso 1 1 calc R U . . .
C32 C 0.7481(2) 0.45669(11) 0.55572(8) 0.0510(6) Uani 1 1 d . . . . .
H32A H 0.783991 0.421662 0.561687 0.076 Uiso 1 1 calc R U . . .
H32B H 0.795845 0.485465 0.547057 0.076 Uiso 1 1 calc R U . . .
H32C H 0.707647 0.453728 0.528569 0.076 Uiso 1 1 calc R U . . .
C118 C 1.04993(18) 0.00194(11) 0.05251(9) 0.0504(6) Uani 1 1 d . . . . .
H118 H 1.110592 0.009377 0.032845 0.060 Uiso 1 1 calc R U . . .
C70 C -0.37154(18) 0.21636(11) 0.51882(9) 0.0488(5) Uani 1 1 d . . . . .
H70A H -0.352768 0.179509 0.507880 0.073 Uiso 1 1 calc R U . . .
H70B H -0.405886 0.237082 0.493579 0.073 Uiso 1 1 calc R U . . .
H70C H -0.415752 0.213677 0.549699 0.073 Uiso 1 1 calc R U . . .
C8 C 0.38519(19) 0.45085(11) 0.93824(8) 0.0495(5) Uani 1 1 d . . . . .
H8A H 0.439570 0.422982 0.935690 0.074 Uiso 1 1 calc R U . . .
H8B H 0.332152 0.438316 0.963104 0.074 Uiso 1 1 calc R U . . .
H8C H 0.409904 0.485174 0.947889 0.074 Uiso 1 1 calc R U . . .
C144 C 0.57294(16) 0.24743(9) 0.01391(8) 0.0406(5) Uani 1 1 d . . . . .
H14D H 0.546128 0.277833 -0.006191 0.061 Uiso 1 1 calc R U . . .
H14E H 0.626853 0.260243 0.030769 0.061 Uiso 1 1 calc R U . . .
H14F H 0.520235 0.233748 0.038397 0.061 Uiso 1 1 calc R U . . .
C9 C 0.76552(18) 0.35202(9) 0.72014(9) 0.0479(5) Uani 1 1 d . . . . .
H9A H 0.784002 0.332748 0.750826 0.057 Uiso 1 1 calc R U . . .
H9B H 0.825430 0.369712 0.703618 0.057 Uiso 1 1 calc R U . . .
C64 C 0.3670(2) 0.41135(12) 0.70331(9) 0.0550(6) Uani 1 1 d . . . . .
H64 H 0.396601 0.435094 0.723159 0.066 Uiso 1 1 calc R U . . .
C62 C 0.24073(17) 0.39499(10) 0.65185(8) 0.0452(5) Uani 1 1 d . . . . .
H62 H 0.183040 0.407480 0.637112 0.054 Uiso 1 1 calc R U . . .
C65 C 0.40667(17) 0.35933(12) 0.69638(8) 0.0497(6) Uani 1 1 d . . . . .
H65 H 0.463187 0.346782 0.712062 0.060 Uiso 1 1 calc R U . . .
C136 C 0.64470(19) 0.12366(13) -0.18514(10) 0.0583(7) Uani 1 1 d . . . . .
H136 H 0.603618 0.128397 -0.211114 0.070 Uiso 1 1 calc R U . . .
C21 C 0.42704(18) 0.71009(10) 0.81252(10) 0.0516(6) Uani 1 1 d . . . . .
H21 H 0.477395 0.698273 0.787941 0.062 Uiso 1 1 calc R U . . .
C89 C 0.4198(2) -0.04512(12) 0.44052(9) 0.0550(6) Uani 1 1 d . . . . .
H89A H 0.459652 -0.079260 0.435873 0.083 Uiso 1 1 calc R U . . .
H89B H 0.375609 -0.048543 0.471352 0.083 Uiso 1 1 calc R U . . .
H89C H 0.463871 -0.014804 0.441961 0.083 Uiso 1 1 calc R U . . .
C133 C 0.76425(18) 0.10908(9) -0.10911(10) 0.0474(5) Uani 1 1 d . . . . .
H133 H 0.804707 0.103719 -0.082924 0.057 Uiso 1 1 calc R U . . .
C27 C 0.89207(17) 0.50400(11) 0.73539(8) 0.0480(5) Uani 1 1 d . . . . .
C77 C -0.36269(18) 0.27632(12) 0.39907(9) 0.0516(6) Uani 1 1 d . . . . .
H77 H -0.358888 0.237439 0.399449 0.062 Uiso 1 1 calc R U . . .
C23 C 0.32916(19) 0.78275(9) 0.85095(10) 0.0507(6) Uani 1 1 d . . . . .
H23 H 0.311551 0.820673 0.852711 0.061 Uiso 1 1 calc R U . . .
C37 C 0.9537(2) 0.59117(10) 0.56602(8) 0.0502(6) Uani 1 1 d . . . . .
H37 H 0.947326 0.628726 0.555505 0.060 Uiso 1 1 calc R U . . .
C33 C 0.5991(2) 0.43053(12) 0.61207(10) 0.0581(6) Uani 1 1 d . . . . .
H33A H 0.558991 0.432521 0.584323 0.087 Uiso 1 1 calc R U . . .
H33B H 0.556873 0.439567 0.642236 0.087 Uiso 1 1 calc R U . . .
H33C H 0.628309 0.393380 0.616128 0.087 Uiso 1 1 calc R U . . .
C150 C 1.3040(2) 0.10046(10) 0.08978(11) 0.0631(8) Uani 1 1 d . . . . .
H150 H 1.298679 0.063566 0.081713 0.076 Uiso 1 1 calc R U . . .
C49 C -0.10964(18) 0.12782(10) 0.43772(9) 0.0483(5) Uani 1 1 d . . . . .
H49A H -0.069129 0.108320 0.411242 0.058 Uiso 1 1 calc R U . . .
H49B H -0.161250 0.150683 0.422424 0.058 Uiso 1 1 calc R U . . .
C69 C -0.30326(19) 0.30420(10) 0.54184(9) 0.0477(5) Uani 1 1 d . . . . .
H69A H -0.345687 0.303710 0.573313 0.072 Uiso 1 1 calc R U . . .
H69B H -0.338260 0.324172 0.516425 0.072 Uiso 1 1 calc R U . . .
H69C H -0.241769 0.322379 0.545262 0.072 Uiso 1 1 calc R U . . .
C22 C 0.4014(2) 0.76538(10) 0.81561(11) 0.0589(7) Uani 1 1 d . . . . .
H22 H 0.434244 0.791365 0.793052 0.071 Uiso 1 1 calc R U . . .
C38 C 1.03083(19) 0.55832(12) 0.54485(9) 0.0537(6) Uani 1 1 d . . . . .
H38 H 1.077867 0.573557 0.520028 0.064 Uiso 1 1 calc R U . . .
C63 C 0.2839(2) 0.42877(12) 0.68126(10) 0.0580(7) Uani 1 1 d . . . . .
H63 H 0.255953 0.464577 0.686347 0.070 Uiso 1 1 calc R U . . .
C101 C 0.38069(19) 0.20575(10) 0.29770(11) 0.0546(6) Uani 1 1 d . . . . .
H101 H 0.416871 0.193335 0.268363 0.066 Uiso 1 1 calc R U . . .
C98 C 0.6043(2) 0.14749(12) 0.32888(11) 0.0603(7) Uani 1 1 d . . . . .
H98A H 0.560259 0.180397 0.328914 0.090 Uiso 1 1 calc R U . . .
H98B H 0.614916 0.133942 0.295604 0.090 Uiso 1 1 calc R U . . .
H98C H 0.668206 0.156445 0.339261 0.090 Uiso 1 1 calc R U . . .
C104 C 0.2747(2) 0.24245(12) 0.38213(12) 0.0623(8) Uani 1 1 d . . . . .
H104 H 0.237531 0.255096 0.411126 0.075 Uiso 1 1 calc R U . . .
C129 C 1.05733(19) 0.38366(10) 0.10011(10) 0.0519(6) Uani 1 1 d . . . . .
H12F H 1.095332 0.359063 0.121854 0.062 Uiso 1 1 calc R U . . .
H12G H 1.011842 0.407311 0.121430 0.062 Uiso 1 1 calc R U . . .
C145 C 0.53105(19) 0.18595(12) -0.04899(10) 0.0591(7) Uani 1 1 d . . . . .
H14G H 0.471808 0.176753 -0.026647 0.089 Uiso 1 1 calc R U . . .
H14H H 0.554000 0.154209 -0.068071 0.089 Uiso 1 1 calc R U . . .
H14I H 0.514817 0.216877 -0.071475 0.089 Uiso 1 1 calc R U . . .
C151 C 1.39460(18) 0.16841(13) 0.12177(10) 0.0596(7) Uani 1 1 d . . . . .
H151 H 1.451540 0.178426 0.135899 0.071 Uiso 1 1 calc R U . . .
C34 C 0.6342(2) 0.52866(11) 0.59666(9) 0.0535(6) Uani 1 1 d . . . . .
H34A H 0.686405 0.554938 0.587835 0.080 Uiso 1 1 calc R U . . .
H34B H 0.596315 0.538003 0.627932 0.080 Uiso 1 1 calc R U . . .
H34C H 0.589603 0.530048 0.570761 0.080 Uiso 1 1 calc R U . . .
C137 C 0.6841(2) 0.07241(12) -0.17272(12) 0.0684(9) Uani 1 1 d . . . . .
H137 H 0.669529 0.041824 -0.190127 0.082 Uiso 1 1 calc R U . . .
C48 C 0.3155(2) 0.12906(11) 0.60672(10) 0.0557(6) Uani 1 1 d . . . . .
H48A H 0.289243 0.096270 0.594824 0.084 Uiso 1 1 calc R U . . .
H48B H 0.267545 0.144156 0.632486 0.084 Uiso 1 1 calc R U . . .
H48C H 0.378281 0.119361 0.620228 0.084 Uiso 1 1 calc R U . . .
C39 C 1.03985(19) 0.50388(12) 0.55944(9) 0.0555(6) Uani 1 1 d . . . . .
H39 H 1.093270 0.481733 0.544772 0.067 Uiso 1 1 calc R U . . .
C13 C 0.61102(19) 0.54211(10) 0.89872(10) 0.0535(6) Uani 1 1 d . . . . .
H13A H 0.663238 0.548582 0.919460 0.080 Uiso 1 1 calc R U . . .
H13B H 0.641228 0.528451 0.867280 0.080 Uiso 1 1 calc R U . . .
H13C H 0.566375 0.514937 0.915531 0.080 Uiso 1 1 calc R U . . .
C110 C 0.6895(2) -0.07104(12) 0.05093(9) 0.0554(6) Uani 1 1 d . . . . .
H11A H 0.680778 -0.108724 0.064343 0.083 Uiso 1 1 calc R U . . .
H11B H 0.760191 -0.065416 0.041200 0.083 Uiso 1 1 calc R U . . .
H11C H 0.652860 -0.064572 0.022097 0.083 Uiso 1 1 calc R U . . .
C156 C 1.1606(2) 0.30966(13) -0.03980(9) 0.0592(7) Uani 1 1 d . . . . .
H15D H 1.094025 0.298179 -0.044149 0.089 Uiso 1 1 calc R U . . .
H15E H 1.199900 0.313776 -0.072025 0.089 Uiso 1 1 calc R U . . .
H15F H 1.155310 0.344742 -0.023974 0.089 Uiso 1 1 calc R U . . .
C50 C -0.1599(2) 0.08595(11) 0.47434(11) 0.0595(7) Uani 1 1 d . . . . .
H50A H -0.198609 0.062091 0.456977 0.089 Uiso 1 1 calc R U . . .
H50B H -0.204073 0.104941 0.499312 0.089 Uiso 1 1 calc R U . . .
H50C H -0.109308 0.063815 0.490342 0.089 Uiso 1 1 calc R U . . .
C108 C 0.6666(2) 0.02756(11) 0.07154(11) 0.0613(7) Uani 1 1 d . . . . .
H10G H 0.626757 0.036924 0.044261 0.092 Uiso 1 1 calc R U . . .
H10H H 0.737021 0.031714 0.060035 0.092 Uiso 1 1 calc R U . . .
H10I H 0.646664 0.052056 0.098333 0.092 Uiso 1 1 calc R U . . .
C76 C -0.2988(2) 0.36011(11) 0.42027(10) 0.0602(7) Uani 1 1 d . . . . .
H76 H -0.251766 0.379650 0.434777 0.072 Uiso 1 1 calc R U . . .
C143 C 0.6489(2) 0.15333(11) 0.01262(11) 0.0641(7) Uani 1 1 d . . . . .
H14J H 0.704584 0.164238 0.029267 0.096 Uiso 1 1 calc R U . . .
H14K H 0.670721 0.122836 -0.008226 0.096 Uiso 1 1 calc R U . . .
H14L H 0.594692 0.141830 0.037272 0.096 Uiso 1 1 calc R U . . .
C30 C 0.8537(2) 0.48486(14) 0.78739(9) 0.0642(7) Uani 1 1 d . . . . .
H30A H 0.784960 0.498645 0.794949 0.096 Uiso 1 1 calc R U . . .
H30B H 0.895080 0.498803 0.810633 0.096 Uiso 1 1 calc R U . . .
H30C H 0.856124 0.444728 0.790236 0.096 Uiso 1 1 calc R U . . .
C135 C 0.7435(2) 0.06520(11) -0.13577(12) 0.0662(8) Uani 1 1 d . . . . .
H135 H 0.771203 0.029768 -0.128126 0.079 Uiso 1 1 calc R U . . .
C141 C 0.9828(2) 0.19461(12) -0.12477(10) 0.0577(7) Uani 1 1 d . . . . .
H14M H 0.954591 0.158711 -0.126298 0.087 Uiso 1 1 calc R U . . .
H14N H 0.996368 0.199854 -0.090952 0.087 Uiso 1 1 calc R U . . .
H14O H 1.044833 0.196481 -0.146867 0.087 Uiso 1 1 calc R U . . .
C113 C 0.8192(2) -0.06853(13) 0.27748(10) 0.0653(8) Uani 1 1 d . . . . .
H11D H 0.867160 -0.068728 0.301735 0.098 Uiso 1 1 calc R U . . .
H11E H 0.806831 -0.106303 0.270593 0.098 Uiso 1 1 calc R U . . .
H11F H 0.756835 -0.050191 0.290598 0.098 Uiso 1 1 calc R U . . .
C97 C 0.5305(2) 0.12446(13) 0.41626(10) 0.0629(7) Uani 1 1 d . . . . .
H97A H 0.591239 0.133966 0.429531 0.094 Uiso 1 1 calc R U . . .
H97B H 0.497511 0.095852 0.437818 0.094 Uiso 1 1 calc R U . . .
H97C H 0.485826 0.157003 0.414503 0.094 Uiso 1 1 calc R U . . .
C155 C 1.3144(2) 0.28516(15) -0.00237(11) 0.0691(8) Uani 1 1 d . . . . .
H15G H 1.309383 0.320320 0.013332 0.104 Uiso 1 1 calc R U . . .
H15H H 1.352068 0.289352 -0.035015 0.104 Uiso 1 1 calc R U . . .
H15I H 1.348455 0.257708 0.017989 0.104 Uiso 1 1 calc R U . . .
C92 C 0.16295(19) 0.11618(12) 0.31381(10) 0.0561(6) Uani 1 1 d . . . . .
H92A H 0.149721 0.104948 0.348832 0.084 Uiso 1 1 calc R U . . .
H92B H 0.101843 0.114731 0.298020 0.084 Uiso 1 1 calc R U . . .
H92C H 0.186181 0.153657 0.310450 0.084 Uiso 1 1 calc R U . . .
C58 C 0.0493(2) 0.20822(14) 0.65685(10) 0.0668(8) Uani 1 1 d . . . . .
H58A H 0.009315 0.220470 0.630279 0.100 Uiso 1 1 calc R U . . .
H58B H 0.005299 0.197622 0.686458 0.100 Uiso 1 1 calc R U . . .
H58C H 0.092379 0.176705 0.646643 0.100 Uiso 1 1 calc R U . . .
C10 C 0.7349(3) 0.30976(12) 0.68666(10) 0.0727(9) Uani 1 1 d . . . . .
H10A H 0.722701 0.327740 0.654830 0.109 Uiso 1 1 calc R U . . .
H10B H 0.674194 0.292829 0.701997 0.109 Uiso 1 1 calc R U . . .
H10C H 0.788163 0.281502 0.681613 0.109 Uiso 1 1 calc R U . . .
C55 C 0.3262(2) 0.31969(13) 0.47682(9) 0.0645(8) Uani 1 1 d . . . . .
H55A H 0.363012 0.343789 0.452083 0.097 Uiso 1 1 calc R U . . .
H55B H 0.257820 0.317663 0.468906 0.097 Uiso 1 1 calc R U . . .
H55C H 0.358272 0.282965 0.476851 0.097 Uiso 1 1 calc R U . . .
C57 C 0.0473(2) 0.30507(13) 0.68156(10) 0.0638(7) Uani 1 1 d . . . . .
H57A H 0.088663 0.333809 0.690606 0.096 Uiso 1 1 calc R U . . .
H57B H -0.001691 0.295446 0.709517 0.096 Uiso 1 1 calc R U . . .
H57C H 0.012825 0.318394 0.653292 0.096 Uiso 1 1 calc R U . . .
C73 C -0.0919(2) 0.33636(13) 0.34593(10) 0.0649(7) Uani 1 1 d . . . . .
H73A H -0.162923 0.344905 0.344680 0.097 Uiso 1 1 calc R U . . .
H73B H -0.056327 0.342498 0.312990 0.097 Uiso 1 1 calc R U . . .
H73C H -0.066342 0.360081 0.368833 0.097 Uiso 1 1 calc R U . . .
C160 C 1.1155(2) 0.23042(14) 0.19757(9) 0.0644(8) Uani 1 1 d . . . . .
H16A H 1.132177 0.269004 0.196861 0.097 Uiso 1 1 calc R U . . .
H16B H 1.175578 0.208018 0.187929 0.097 Uiso 1 1 calc R U . . .
H16C H 1.087801 0.218648 0.230958 0.097 Uiso 1 1 calc R U . . .
C93 C 0.2693(2) 0.09673(14) 0.23532(9) 0.0636(7) Uani 1 1 d . . . . .
H93A H 0.290741 0.134538 0.233569 0.095 Uiso 1 1 calc R U . . .
H93B H 0.211163 0.094937 0.217288 0.095 Uiso 1 1 calc R U . . .
H93C H 0.323309 0.072901 0.220581 0.095 Uiso 1 1 calc R U . . .
C140 C 0.8826(2) 0.22821(14) -0.19165(9) 0.0620(7) Uani 1 1 d . . . . .
H14P H 0.941452 0.231856 -0.215752 0.093 Uiso 1 1 calc R U . . .
H14Q H 0.830379 0.254706 -0.200613 0.093 Uiso 1 1 calc R U . . .
H14R H 0.858774 0.191018 -0.191393 0.093 Uiso 1 1 calc R U . . .
C159 C 0.9470(2) 0.25910(16) 0.17763(9) 0.0701(9) Uani 1 1 d . . . . .
H15J H 0.917191 0.245501 0.210100 0.105 Uiso 1 1 calc R U . . .
H15K H 0.898857 0.257630 0.153643 0.105 Uiso 1 1 calc R U . . .
H15L H 0.965855 0.297036 0.179437 0.105 Uiso 1 1 calc R U . . .
C103 C 0.2989(2) 0.27840(11) 0.34349(15) 0.0741(10) Uani 1 1 d . . . . .
H103 H 0.279315 0.316032 0.345792 0.089 Uiso 1 1 calc R U . . .
C112 C 0.8703(3) 0.02185(12) 0.24007(11) 0.0710(9) Uani 1 1 d . . . . .
H11G H 0.804165 0.038822 0.248550 0.107 Uiso 1 1 calc R U . . .
H11H H 0.902748 0.040883 0.210490 0.107 Uiso 1 1 calc R U . . .
H11I H 0.910233 0.024480 0.267487 0.107 Uiso 1 1 calc R U . . .
C130 C 1.12833(19) 0.41910(12) 0.06846(13) 0.0666(8) Uani 1 1 d . . . . .
H13D H 1.092339 0.441687 0.044976 0.100 Uiso 1 1 calc R U . . .
H13E H 1.179342 0.395996 0.050429 0.100 Uiso 1 1 calc R U . . .
H13F H 1.159859 0.442861 0.089219 0.100 Uiso 1 1 calc R U . . .
C152 C 1.3853(2) 0.11530(13) 0.11082(10) 0.0654(8) Uani 1 1 d . . . . .
H152 H 1.435339 0.088443 0.117821 0.079 Uiso 1 1 calc R U . . .
C102 C 0.3516(2) 0.26068(11) 0.30096(15) 0.0733(9) Uani 1 1 d . . . . .
H102 H 0.368058 0.285966 0.273914 0.088 Uiso 1 1 calc R U . . .
C99 C 0.6290(2) 0.05369(12) 0.36664(12) 0.0638(7) Uani 1 1 d . . . . .
H99A H 0.642439 0.039042 0.333855 0.096 Uiso 1 1 calc R U . . .
H99B H 0.599581 0.025481 0.389960 0.096 Uiso 1 1 calc R U . . .
H99C H 0.691280 0.064630 0.377496 0.096 Uiso 1 1 calc R U . . .
C80 C -0.4394(2) 0.30503(16) 0.37806(11) 0.0711(9) Uani 1 1 d . . . . .
H80 H -0.487092 0.285923 0.363591 0.085 Uiso 1 1 calc R U . . .
C15 C 0.5038(2) 0.61594(14) 0.93812(11) 0.0694(9) Uani 1 1 d . . . . .
H15A H 0.457349 0.589029 0.953758 0.104 Uiso 1 1 calc R U . . .
H15B H 0.467873 0.650961 0.932280 0.104 Uiso 1 1 calc R U . . .
H15C H 0.555137 0.620971 0.959797 0.104 Uiso 1 1 calc R U . . .
C94 C 0.2042(2) 0.02002(11) 0.29158(13) 0.0673(8) Uani 1 1 d . . . . .
H94A H 0.255650 -0.004662 0.275841 0.101 Uiso 1 1 calc R U . . .
H94B H 0.144658 0.020103 0.274309 0.101 Uiso 1 1 calc R U . . .
H94C H 0.187724 0.007441 0.326079 0.101 Uiso 1 1 calc R U . . .
C14 C 0.6214(2) 0.63646(13) 0.86154(14) 0.0733(9) Uani 1 1 d . . . . .
H14A H 0.679654 0.639395 0.879265 0.110 Uiso 1 1 calc R U . . .
H14B H 0.586535 0.672333 0.859037 0.110 Uiso 1 1 calc R U . . .
H14C H 0.642722 0.624116 0.828416 0.110 Uiso 1 1 calc R U . . .
C72 C 0.0347(2) 0.26357(17) 0.36146(11) 0.0740(9) Uani 1 1 d . . . . .
H72A H 0.063371 0.286903 0.383660 0.111 Uiso 1 1 calc R U . . .
H72B H 0.065715 0.270679 0.327691 0.111 Uiso 1 1 calc R U . . .
H72C H 0.046827 0.225001 0.371627 0.111 Uiso 1 1 calc R U . . .
C139 C 0.9562(2) 0.29432(12) -0.14236(14) 0.0719(9) Uani 1 1 d . . . . .
H13G H 0.971750 0.301964 -0.109358 0.108 Uiso 1 1 calc R U . . .
H13H H 0.909747 0.322872 -0.153749 0.108 Uiso 1 1 calc R U . . .
H13I H 1.017434 0.293830 -0.165125 0.108 Uiso 1 1 calc R U . . .
C74 C -0.1248(3) 0.23913(16) 0.33156(10) 0.0761(9) Uani 1 1 d . . . . .
H74A H -0.113556 0.200836 0.342838 0.114 Uiso 1 1 calc R U . . .
H74B H -0.095851 0.244603 0.297255 0.114 Uiso 1 1 calc R U . . .
H74C H -0.196361 0.248011 0.333891 0.114 Uiso 1 1 calc R U . . .
C79 C -0.4458(3) 0.35956(17) 0.37825(11) 0.0785(10) Uani 1 1 d . . . . .
H79 H -0.498412 0.378987 0.363758 0.094 Uiso 1 1 calc R U . . .
C78 C -0.3780(3) 0.38820(14) 0.39895(13) 0.0818(11) Uani 1 1 d . . . . .
H78 H -0.384302 0.427026 0.398911 0.098 Uiso 1 1 calc R U . . .
C154 C 1.2139(3) 0.21168(12) -0.03024(10) 0.0713(9) Uani 1 1 d . . . . .
H15M H 1.255600 0.185533 -0.012372 0.107 Uiso 1 1 calc R U . . .
H15N H 1.241538 0.215415 -0.064888 0.107 Uiso 1 1 calc R U . . .
H15O H 1.146423 0.198391 -0.028084 0.107 Uiso 1 1 calc R U . . .
C158 C 1.0132(3) 0.16427(13) 0.16049(11) 0.0780(9) Uani 1 1 d . . . . .
H15P H 1.073683 0.141941 0.151554 0.117 Uiso 1 1 calc R U . . .
H15Q H 0.966473 0.160874 0.136089 0.117 Uiso 1 1 calc R U . . .
H15R H 0.982557 0.151562 0.193087 0.117 Uiso 1 1 calc R U . . .
C53 C 0.4293(2) 0.34583(17) 0.54045(12) 0.0800(10) Uani 1 1 d . . . . .
H53A H 0.460214 0.308938 0.543262 0.120 Uiso 1 1 calc R U . . .
H53B H 0.427012 0.363041 0.572046 0.120 Uiso 1 1 calc R U . . .
H53C H 0.468308 0.367871 0.514868 0.120 Uiso 1 1 calc R U . . .
C54 C 0.2717(3) 0.39916(12) 0.52554(11) 0.0795(10) Uani 1 1 d . . . . .
H54A H 0.303556 0.422148 0.498303 0.119 Uiso 1 1 calc R U . . .
H54B H 0.275425 0.416325 0.556729 0.119 Uiso 1 1 calc R U . . .
H54C H 0.201916 0.395193 0.520734 0.119 Uiso 1 1 calc R U . . .
C29 C 0.8887(3) 0.56673(14) 0.73212(12) 0.0808(10) Uani 1 1 d . . . . .
H29A H 0.919021 0.579804 0.699595 0.121 Uiso 1 1 calc R U . . .
H29B H 0.925317 0.579987 0.757656 0.121 Uiso 1 1 calc R U . . .
H29C H 0.819454 0.580538 0.737029 0.121 Uiso 1 1 calc R U . . .
C114 C 0.9606(2) -0.06386(18) 0.21131(12) 0.0827(11) Uani 1 1 d . . . . .
H11J H 1.005725 -0.063938 0.236889 0.124 Uiso 1 1 calc R U . . .
H11K H 0.988617 -0.042657 0.181932 0.124 Uiso 1 1 calc R U . . .
H11L H 0.952075 -0.101582 0.202863 0.124 Uiso 1 1 calc R U . . .
C28 C 0.9967(2) 0.4801(2) 0.72202(12) 0.0914(13) Uani 1 1 d . . . . .
H28A H 0.995169 0.440068 0.722580 0.137 Uiso 1 1 calc R U . . .
H28B H 1.039991 0.490657 0.745913 0.137 Uiso 1 1 calc R U . . .
H28C H 1.022119 0.494169 0.688956 0.137 Uiso 1 1 calc R U . . .
C17A C 0.3197(8) 0.5957(5) 0.7287(3) 0.057(3) Uani 0.236(5) 1 d D U P A 2
H17D H 0.355099 0.561283 0.719611 0.085 Uiso 0.236(5) 1 calc R U P A 2
H17E H 0.366006 0.625559 0.724144 0.085 Uiso 0.236(5) 1 calc R U P A 2
H17F H 0.266175 0.603528 0.707728 0.085 Uiso 0.236(5) 1 calc R U P A 2
C18A C 0.1979(7) 0.6290(4) 0.7977(4) 0.049(2) Uani 0.236(5) 1 d D U P A 2
H18D H 0.143645 0.627315 0.777111 0.073 Uiso 0.236(5) 1 calc R U P A 2
H18E H 0.223134 0.666060 0.794712 0.073 Uiso 0.236(5) 1 calc R U P A 2
H18F H 0.173284 0.619976 0.832178 0.073 Uiso 0.236(5) 1 calc R U P A 2
C19A C 0.2243(8) 0.5304(3) 0.7857(4) 0.052(3) Uani 0.236(5) 1 d D U P A 2
H19D H 0.191151 0.523555 0.819097 0.078 Uiso 0.236(5) 1 calc R U P A 2
H19E H 0.275600 0.501568 0.778469 0.078 Uiso 0.236(5) 1 calc R U P A 2
H19F H 0.175505 0.530516 0.761915 0.078 Uiso 0.236(5) 1 calc R U P A 2
H90B H 0.3037(18) -0.0600(10) 0.3991(8) 0.035(6) 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
Ni3 Cl3 2.2239(6) . ?
Ni3 Si6 2.1808(6) . ?
Ni3 Si5 2.1798(6) . ?
Ni3 C81 1.9568(18) . ?
Ni2 Cl2 2.2271(6) . ?
Ni2 Si3 2.1809(6) . ?
Ni2 Si4 2.2046(6) . ?
Ni2 C41 1.9578(19) . ?
Ni4 Si8 2.2026(5) . ?
Ni4 Si7 2.1871(6) . ?
Ni4 Cl4 2.2136(6) . ?
Ni4 C121 1.9517(18) . ?
Ni1 Cl1 2.2231(5) . ?
Ni1 Si2 2.1801(6) . ?
Ni1 Si1 2.1846(6) . ?
Ni1 C1 1.9514(18) . ?
Si8 N22 1.7145(16) . ?
Si8 N23 1.8433(16) . ?
Si8 N24 1.8586(16) . ?
Si6 N16 1.7216(16) . ?
Si6 N18 1.8421(16) . ?
Si6 N17 1.8484(17) . ?
Si2 N5 1.8340(16) . ?
Si2 N6 1.8429(16) . ?
Si2 N4 1.7127(17) . ?
Si7 N20 1.8431(16) . ?
Si7 N21 1.8495(17) . ?
Si7 N19 1.7112(17) . ?
Si3 N7 1.8494(17) . ?
Si3 N8 1.8540(16) . ?
Si3 N9 1.7147(18) . ?
Si4 N11 1.8497(17) . ?
Si4 N12 1.8545(17) . ?
Si4 N10 1.7204(18) . ?
Si5 N15 1.8381(17) . ?
Si5 N13 1.7125(18) . ?
Si5 N14 1.8395(17) . ?
Si1 N2 1.8399(17) . ?
Si1 N1 1.8467(18) . ?
Si1 N3 1.7172(17) . ?
N22 C126 1.410(2) . ?
N22 C127 1.461(2) . ?
N23 C131 1.333(3) . ?
N23 C142 1.477(3) . ?
N16 C82 1.410(2) . ?
N16 C87 1.462(2) . ?
N24 C131 1.336(2) . ?
N24 C138 1.477(3) . ?
N20 C146 1.341(3) . ?
N20 C157 1.477(3) . ?
N18 C106 1.346(3) . ?
N18 C107 1.481(2) . ?
N11 C66 1.339(2) . ?
N11 C67 1.483(3) . ?
N5 C11 1.340(3) . ?
N5 C16 1.479(3) . ?
N6 C11 1.338(2) . ?
N6 C12 1.478(3) . ?
N7 C51 1.332(2) . ?
N7 C52 1.469(3) . ?
N17 C106 1.337(2) . ?
N17 C111 1.478(3) . ?
N2 C26 1.336(3) . ?
N2 C31 1.481(3) . ?
N21 C146 1.341(2) . ?
N21 C153 1.473(3) . ?
N12 C66 1.333(3) . ?
N12 C71 1.474(3) . ?
N15 C95 1.337(3) . ?
N15 C91 1.479(3) . ?
N8 C51 1.335(3) . ?
N8 C56 1.477(3) . ?
N4 C3 1.418(2) . ?
N4 C7 1.469(3) . ?
N13 C83 1.420(2) . ?
N13 C90 1.460(3) . ?
N9 C43 1.414(3) . ?
N9 C47 1.470(3) . ?
N1 C26 1.337(3) . ?
N1 C27 1.479(3) . ?
N14 C95 1.343(3) . ?
N14 C96 1.483(3) . ?
N3 C2 1.413(2) . ?
N3 C9 1.462(3) . ?
N19 C122 1.416(2) . ?
N19 C129 1.463(3) . ?
N10 C42 1.417(3) . ?
N10 C49 1.460(3) . ?
C131 C132 1.490(3) . ?
C81 C82 1.428(3) . ?
C81 C83 1.415(3) . ?
C126 C121 1.423(2) . ?
C126 C125 1.404(3) . ?
C121 C122 1.415(3) . ?
C106 C115 1.477(3) . ?
C3 C1 1.418(3) . ?
C3 C5 1.400(3) . ?
C1 C2 1.419(3) . ?
C42 C41 1.414(3) . ?
C42 C44 1.404(3) . ?
C146 C147 1.486(3) . ?
C41 C43 1.418(3) . ?
C26 C35 1.483(3) . ?
C82 C86 1.400(3) . ?
C83 C84 1.397(3) . ?
C25 H25 0.9500 . ?
C25 C20 1.385(3) . ?
C25 C24 1.394(3) . ?
C125 H125 0.9500 . ?
C125 C124 1.378(3) . ?
C11 C20 1.482(3) . ?
C122 C123 1.400(3) . ?
C66 C75 1.482(3) . ?
C51 C60 1.491(3) . ?
C20 C21 1.388(3) . ?
C35 C36 1.393(3) . ?
C35 C40 1.388(3) . ?
C115 C120 1.391(3) . ?
C115 C116 1.392(3) . ?
C43 C45 1.404(3) . ?
C2 C4 1.402(3) . ?
C147 C148 1.386(3) . ?
C147 C149 1.386(3) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C87 C88 1.520(3) . ?
C4 H4 0.9500 . ?
C4 C6 1.383(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.377(3) . ?
C127 H12A 0.9900 . ?
C127 H12B 0.9900 . ?
C127 C128 1.517(3) . ?
C123 H123 0.9500 . ?
C123 C124 1.377(3) . ?
C95 C100 1.481(3) . ?
C60 C61 1.389(3) . ?
C60 C62 1.382(3) . ?
C84 H84 0.9500 . ?
C84 C85 1.382(3) . ?
C132 C134 1.390(3) . ?
C132 C133 1.389(3) . ?
C100 C105 1.386(3) . ?
C100 C101 1.382(3) . ?
C124 H124 0.9500 . ?
C107 C109 1.522(3) . ?
C107 C110 1.526(3) . ?
C107 C108 1.515(3) . ?
C6 H6 0.9500 . ?
C45 H45 0.9500 . ?
C45 C46 1.384(3) . ?
C86 H86 0.9500 . ?
C86 C85 1.382(3) . ?
C157 C160 1.529(3) . ?
C157 C159 1.524(3) . ?
C157 C158 1.512(4) . ?
C142 C144 1.523(3) . ?
C142 C145 1.524(3) . ?
C142 C143 1.518(3) . ?
C90 H90A 0.95(3) . ?
C90 C89 1.525(4) . ?
C90 H90B 0.99(2) . ?
C120 H120 0.9500 . ?
C120 C119 1.383(3) . ?
C85 H85 0.9500 . ?
C44 H44 0.9500 . ?
C44 C46 1.378(3) . ?
C75 C77 1.396(3) . ?
C75 C76 1.375(4) . ?
C56 C59 1.525(3) . ?
C56 C58 1.520(3) . ?
C56 C57 1.526(4) . ?
C138 C141 1.518(3) . ?
C138 C140 1.525(3) . ?
C138 C139 1.513(3) . ?
C67 C68 1.523(3) . ?
C67 C70 1.525(3) . ?
C67 C69 1.523(3) . ?
C134 H134 0.9500 . ?
C134 C136 1.390(3) . ?
C24 H24 0.9500 . ?
C24 C23 1.365(4) . ?
C46 H46 0.9500 . ?
C153 C156 1.517(3) . ?
C153 C155 1.520(4) . ?
C153 C154 1.511(4) . ?
C31 C32 1.521(3) . ?
C31 C33 1.517(3) . ?
C31 C34 1.528(3) . ?
C148 H148 0.9500 . ?
C148 C150 1.388(4) . ?
C116 H116 0.9500 . ?
C116 C117 1.381(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.385(3) . ?
C91 C92 1.519(3) . ?
C91 C93 1.530(3) . ?
C91 C94 1.522(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.529(3) . ?
C61 H61 0.9500 . ?
C61 C65 1.391(3) . ?
C52 C55 1.505(3) . ?
C52 C53 1.506(4) . ?
C52 C54 1.542(4) . ?
C71 C73 1.535(4) . ?
C71 C72 1.521(4) . ?
C71 C74 1.517(4) . ?
C16 C19 1.509(4) . ?
C16 C17 1.471(3) . ?
C16 C18 1.588(4) . ?
C16 C17A 1.507(7) . ?
C16 C18A 1.433(7) . ?
C16 C19A 1.655(7) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C128 H12C 0.9800 . ?
C128 H12D 0.9800 . ?
C128 H12E 0.9800 . ?
C149 H149 0.9500 . ?
C149 C151 1.391(3) . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C105 H105 0.9500 . ?
C105 C104 1.388(4) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C119 H119 0.9500 . ?
C119 C118 1.380(4) . ?
C117 H117 0.9500 . ?
C117 C118 1.384(4) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C48 1.514(4) . ?
C12 C13 1.523(3) . ?
C12 C15 1.523(4) . ?
C12 C14 1.515(4) . ?
C111 C113 1.517(3) . ?
C111 C112 1.522(4) . ?
C111 C114 1.517(4) . ?
C109 H10D 0.9800 . ?
C109 H10E 0.9800 . ?
C109 H10F 0.9800 . ?
C96 C98 1.525(4) . ?
C96 C97 1.534(3) . ?
C96 C99 1.527(4) . ?
C40 H40 0.9500 . ?
C40 C39 1.391(3) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C118 H118 0.9500 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C144 H14D 0.9800 . ?
C144 H14E 0.9800 . ?
C144 H14F 0.9800 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.522(4) . ?
C64 H64 0.9500 . ?
C64 C65 1.374(4) . ?
C64 C63 1.375(4) . ?
C62 H62 0.9500 . ?
C62 C63 1.380(3) . ?
C65 H65 0.9500 . ?
C136 H136 0.9500 . ?
C136 C137 1.379(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.386(4) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C133 H133 0.9500 . ?
C133 C135 1.389(4) . ?
C27 C30 1.514(3) . ?
C27 C29 1.531(4) . ?
C27 C28 1.523(4) . ?
C77 H77 0.9500 . ?
C77 C80 1.387(4) . ?
C23 H23 0.9500 . ?
C23 C22 1.368(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.383(4) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C150 H150 0.9500 . ?
C150 C152 1.372(5) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.520(4) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C22 H22 0.9500 . ?
C38 H38 0.9500 . ?
C38 C39 1.372(4) . ?
C63 H63 0.9500 . ?
C101 H101 0.9500 . ?
C101 C102 1.388(4) . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C104 H104 0.9500 . ?
C104 C103 1.356(5) . ?
C129 H12F 0.9900 . ?
C129 H12G 0.9900 . ?
C129 C130 1.494(4) . ?
C145 H14G 0.9800 . ?
C145 H14H 0.9800 . ?
C145 H14I 0.9800 . ?
C151 H151 0.9500 . ?
C151 C152 1.366(5) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C137 H137 0.9500 . ?
C137 C135 1.362(5) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C39 H39 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C156 H15D 0.9800 . ?
C156 H15E 0.9800 . ?
C156 H15F 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C108 H10G 0.9800 . ?
C108 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C76 H76 0.9500 . ?
C76 C78 1.410(4) . ?
C143 H14J 0.9800 . ?
C143 H14K 0.9800 . ?
C143 H14L 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C135 H135 0.9500 . ?
C141 H14M 0.9800 . ?
C141 H14N 0.9800 . ?
C141 H14O 0.9800 . ?
C113 H11D 0.9800 . ?
C113 H11E 0.9800 . ?
C113 H11F 0.9800 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C155 H15G 0.9800 . ?
C155 H15H 0.9800 . ?
C155 H15I 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C160 H16A 0.9800 . ?
C160 H16B 0.9800 . ?
C160 H16C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C140 H14P 0.9800 . ?
C140 H14Q 0.9800 . ?
C140 H14R 0.9800 . ?
C159 H15J 0.9800 . ?
C159 H15K 0.9800 . ?
C159 H15L 0.9800 . ?
C103 H103 0.9500 . ?
C103 C102 1.377(5) . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
C112 H11I 0.9800 . ?
C130 H13D 0.9800 . ?
C130 H13E 0.9800 . ?
C130 H13F 0.9800 . ?
C152 H152 0.9500 . ?
C102 H102 0.9500 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C80 H80 0.9500 . ?
C80 C79 1.334(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C139 H13G 0.9800 . ?
C139 H13H 0.9800 . ?
C139 H13I 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C79 H79 0.9500 . ?
C79 C78 1.372(6) . ?
C78 H78 0.9500 . ?
C154 H15M 0.9800 . ?
C154 H15N 0.9800 . ?
C154 H15O 0.9800 . ?
C158 H15P 0.9800 . ?
C158 H15Q 0.9800 . ?
C158 H15R 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C114 H11J 0.9800 . ?
C114 H11K 0.9800 . ?
C114 H11L 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C19A H19D 0.9800 . ?
C19A H19E 0.9800 . ?
C19A H19F 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
Si6 Ni3 Cl3 98.51(2) . . ?
Si5 Ni3 Cl3 97.93(2) . . ?
Si5 Ni3 Si6 161.85(2) . . ?
C81 Ni3 Cl3 177.48(6) . . ?
C81 Ni3 Si6 82.04(6) . . ?
C81 Ni3 Si5 81.87(6) . . ?
Si3 Ni2 Cl2 95.16(2) . . ?
Si3 Ni2 Si4 164.16(2) . . ?
Si4 Ni2 Cl2 100.65(2) . . ?
C41 Ni2 Cl2 173.31(6) . . ?
C41 Ni2 Si3 82.06(6) . . ?
C41 Ni2 Si4 82.11(6) . . ?
Si8 Ni4 Cl4 99.58(2) . . ?
Si7 Ni4 Si8 161.56(2) . . ?
Si7 Ni4 Cl4 96.87(2) . . ?
C121 Ni4 Si8 82.47(5) . . ?
C121 Ni4 Si7 81.61(5) . . ?
C121 Ni4 Cl4 176.07(6) . . ?
Si2 Ni1 Cl1 96.36(2) . . ?
Si2 Ni1 Si1 163.25(2) . . ?
Si1 Ni1 Cl1 99.14(2) . . ?
C1 Ni1 Cl1 178.29(5) . . ?
C1 Ni1 Si2 82.21(6) . . ?
C1 Ni1 Si1 82.18(6) . . ?
N22 Si8 Ni4 105.54(5) . . ?
N22 Si8 N23 109.08(7) . . ?
N22 Si8 N24 112.32(8) . . ?
N23 Si8 Ni4 130.72(6) . . ?
N23 Si8 N24 70.24(7) . . ?
N24 Si8 Ni4 125.38(5) . . ?
N16 Si6 Ni3 105.86(6) . . ?
N16 Si6 N18 108.23(7) . . ?
N16 Si6 N17 108.58(8) . . ?
N18 Si6 Ni3 133.23(6) . . ?
N18 Si6 N17 70.88(7) . . ?
N17 Si6 Ni3 125.56(6) . . ?
N5 Si2 Ni1 127.53(6) . . ?
N5 Si2 N6 70.78(7) . . ?
N6 Si2 Ni1 123.07(6) . . ?
N4 Si2 Ni1 106.62(6) . . ?
N4 Si2 N5 112.47(8) . . ?
N4 Si2 N6 112.81(8) . . ?
N20 Si7 Ni4 133.38(6) . . ?
N20 Si7 N21 70.81(7) . . ?
N21 Si7 Ni4 119.80(5) . . ?
N19 Si7 Ni4 106.83(6) . . ?
N19 Si7 N20 109.62(8) . . ?
N19 Si7 N21 112.02(8) . . ?
N7 Si3 Ni2 131.26(6) . . ?
N7 Si3 N8 70.49(7) . . ?
N8 Si3 Ni2 126.29(6) . . ?
N9 Si3 Ni2 106.58(6) . . ?
N9 Si3 N7 107.67(8) . . ?
N9 Si3 N8 110.14(8) . . ?
N11 Si4 Ni2 128.65(5) . . ?
N11 Si4 N12 70.51(7) . . ?
N12 Si4 Ni2 131.68(6) . . ?
N10 Si4 Ni2 105.31(6) . . ?
N10 Si4 N11 108.45(8) . . ?
N10 Si4 N12 107.97(8) . . ?
N15 Si5 Ni3 130.25(6) . . ?
N15 Si5 N14 70.93(7) . . ?
N13 Si5 Ni3 106.78(6) . . ?
N13 Si5 N15 110.30(8) . . ?
N13 Si5 N14 111.45(8) . . ?
N14 Si5 Ni3 123.13(6) . . ?
N2 Si1 Ni1 132.27(6) . . ?
N2 Si1 N1 70.69(8) . . ?
N1 Si1 Ni1 124.20(6) . . ?
N3 Si1 Ni1 106.45(6) . . ?
N3 Si1 N2 109.24(8) . . ?
N3 Si1 N1 109.51(9) . . ?
C126 N22 Si8 112.30(12) . . ?
C126 N22 C127 121.12(15) . . ?
C127 N22 Si8 126.56(12) . . ?
C131 N23 Si8 91.39(11) . . ?
C131 N23 C142 132.04(15) . . ?
C142 N23 Si8 134.13(13) . . ?
C82 N16 Si6 111.62(12) . . ?
C82 N16 C87 121.56(15) . . ?
C87 N16 Si6 126.07(13) . . ?
C131 N24 Si8 90.64(12) . . ?
C131 N24 C138 130.36(15) . . ?
C138 N24 Si8 133.74(12) . . ?
C146 N20 Si7 90.82(12) . . ?
C146 N20 C157 131.44(16) . . ?
C157 N20 Si7 135.98(13) . . ?
C106 N18 Si6 91.27(11) . . ?
C106 N18 C107 129.60(17) . . ?
C107 N18 Si6 134.55(14) . . ?
C66 N11 Si4 91.28(12) . . ?
C66 N11 C67 129.81(17) . . ?
C67 N11 Si4 134.10(13) . . ?
C11 N5 Si2 91.02(12) . . ?
C11 N5 C16 130.72(16) . . ?
C16 N5 Si2 135.66(12) . . ?
C11 N6 Si2 90.71(11) . . ?
C11 N6 C12 131.23(16) . . ?
C12 N6 Si2 135.32(13) . . ?
C51 N7 Si3 91.41(12) . . ?
C51 N7 C52 131.14(17) . . ?
C52 N7 Si3 136.02(13) . . ?
C106 N17 Si6 91.29(12) . . ?
C106 N17 C111 133.09(18) . . ?
C111 N17 Si6 135.08(14) . . ?
C26 N2 Si1 91.17(12) . . ?
C26 N2 C31 130.16(17) . . ?
C31 N2 Si1 132.75(13) . . ?
C146 N21 Si7 90.56(12) . . ?
C146 N21 C153 131.50(17) . . ?
C153 N21 Si7 133.60(13) . . ?
C66 N12 Si4 91.24(12) . . ?
C66 N12 C71 131.37(17) . . ?
C71 N12 Si4 136.65(14) . . ?
C95 N15 Si5 90.79(13) . . ?
C95 N15 C91 131.97(17) . . ?
C91 N15 Si5 133.83(13) . . ?
C51 N8 Si3 91.15(12) . . ?
C51 N8 C56 130.52(17) . . ?
C56 N8 Si3 134.80(13) . . ?
C3 N4 Si2 111.21(12) . . ?
C3 N4 C7 120.60(16) . . ?
C7 N4 Si2 128.01(14) . . ?
C83 N13 Si5 111.41(13) . . ?
C83 N13 C90 122.10(17) . . ?
C90 N13 Si5 126.45(14) . . ?
C43 N9 Si3 111.62(13) . . ?
C43 N9 C47 121.36(17) . . ?
C47 N9 Si3 126.35(14) . . ?
C26 N1 Si1 90.84(13) . . ?
C26 N1 C27 131.81(18) . . ?
C27 N1 Si1 134.75(14) . . ?
C95 N14 Si5 90.55(12) . . ?
C95 N14 C96 130.80(17) . . ?
C96 N14 Si5 134.15(14) . . ?
C2 N3 Si1 111.59(12) . . ?
C2 N3 C9 121.56(17) . . ?
C9 N3 Si1 125.97(15) . . ?
C122 N19 Si7 111.08(12) . . ?
C122 N19 C129 120.76(17) . . ?
C129 N19 Si7 127.65(14) . . ?
C42 N10 Si4 111.68(13) . . ?
C42 N10 C49 121.66(17) . . ?
C49 N10 Si4 126.63(15) . . ?
N23 C131 Si8 53.21(9) . . ?
N23 C131 N24 105.86(15) . . ?
N23 C131 C132 126.72(17) . . ?
N24 C131 Si8 53.87(9) . . ?
N24 C131 C132 127.38(17) . . ?
C132 C131 Si8 168.65(14) . . ?
C82 C81 Ni3 121.50(14) . . ?
C83 C81 Ni3 122.44(13) . . ?
C83 C81 C82 116.03(16) . . ?
N22 C126 C121 117.82(15) . . ?
C125 C126 N22 120.70(16) . . ?
C125 C126 C121 121.48(16) . . ?
C126 C121 Ni4 121.46(13) . . ?
C122 C121 Ni4 122.27(13) . . ?
C122 C121 C126 116.16(16) . . ?
N18 C106 Si6 53.02(10) . . ?
N18 C106 C115 128.17(17) . . ?
N17 C106 Si6 53.28(10) . . ?
N17 C106 N18 105.82(17) . . ?
N17 C106 C115 125.96(17) . . ?
C115 C106 Si6 175.78(13) . . ?
N4 C3 C1 117.77(16) . . ?
C5 C3 N4 120.45(17) . . ?
C5 C3 C1 121.77(17) . . ?
C3 C1 Ni1 121.83(13) . . ?
C3 C1 C2 116.01(16) . . ?
C2 C1 Ni1 122.12(13) . . ?
C41 C42 N10 117.66(17) . . ?
C44 C42 N10 120.21(18) . . ?
C44 C42 C41 122.13(18) . . ?
N20 C146 Si7 53.43(9) . . ?
N20 C146 C147 126.96(17) . . ?
N21 C146 Si7 53.70(9) . . ?
N21 C146 N20 105.85(16) . . ?
N21 C146 C147 127.12(17) . . ?
C147 C146 Si7 167.85(14) . . ?
C42 C41 Ni2 121.92(14) . . ?
C42 C41 C43 116.06(17) . . ?
C43 C41 Ni2 122.00(14) . . ?
N2 C26 Si1 53.25(10) . . ?
N2 C26 N1 105.86(17) . . ?
N2 C26 C35 126.95(18) . . ?
N1 C26 Si1 53.55(10) . . ?
N1 C26 C35 127.19(19) . . ?
C35 C26 Si1 171.97(14) . . ?
N16 C82 C81 117.22(16) . . ?
C86 C82 N16 121.38(17) . . ?
C86 C82 C81 121.40(18) . . ?
C81 C83 N13 117.07(16) . . ?
C84 C83 N13 120.73(18) . . ?
C84 C83 C81 122.19(18) . . ?
C20 C25 H25 120.3 . . ?
C20 C25 C24 119.4(2) . . ?
C24 C25 H25 120.3 . . ?
C126 C125 H125 120.2 . . ?
C124 C125 C126 119.64(17) . . ?
C124 C125 H125 120.2 . . ?
N5 C11 Si2 53.18(9) . . ?
N5 C11 C20 126.35(17) . . ?
N6 C11 Si2 53.56(9) . . ?
N6 C11 N5 105.35(16) . . ?
N6 C11 C20 128.17(17) . . ?
C20 C11 Si2 166.56(14) . . ?
C121 C122 N19 117.68(16) . . ?
C123 C122 N19 120.40(16) . . ?
C123 C122 C121 121.93(17) . . ?
N11 C66 Si4 53.26(10) . . ?
N11 C66 C75 127.77(18) . . ?
N12 C66 Si4 53.47(10) . . ?
N12 C66 N11 106.27(16) . . ?
N12 C66 C75 125.96(18) . . ?
C75 C66 Si4 173.69(15) . . ?
N7 C51 Si3 53.30(9) . . ?
N7 C51 N8 106.52(16) . . ?
N7 C51 C60 126.25(17) . . ?
N8 C51 Si3 53.50(9) . . ?
N8 C51 C60 127.15(17) . . ?
C60 C51 Si3 177.76(14) . . ?
C25 C20 C11 120.15(18) . . ?
C25 C20 C21 119.47(19) . . ?
C21 C20 C11 120.32(18) . . ?
C36 C35 C26 120.68(18) . . ?
C40 C35 C26 119.38(19) . . ?
C40 C35 C36 119.9(2) . . ?
C120 C115 C106 121.79(18) . . ?
C120 C115 C116 119.4(2) . . ?
C116 C115 C106 118.77(17) . . ?
N9 C43 C41 117.51(17) . . ?
C45 C43 N9 120.63(17) . . ?
C45 C43 C41 121.86(18) . . ?
N3 C2 C1 117.65(16) . . ?
C4 C2 N3 120.35(16) . . ?
C4 C2 C1 121.99(17) . . ?
C148 C147 C146 119.61(18) . . ?
C149 C147 C146 120.85(18) . . ?
C149 C147 C148 119.5(2) . . ?
N16 C87 H87A 109.0 . . ?
N16 C87 H87B 109.0 . . ?
N16 C87 C88 113.14(17) . . ?
H87A C87 H87B 107.8 . . ?
C88 C87 H87A 109.0 . . ?
C88 C87 H87B 109.0 . . ?
C2 C4 H4 120.3 . . ?
C6 C4 C2 119.40(18) . . ?
C6 C4 H4 120.3 . . ?
C3 C5 H5 120.1 . . ?
C6 C5 C3 119.86(18) . . ?
C6 C5 H5 120.1 . . ?
N22 C127 H12A 108.7 . . ?
N22 C127 H12B 108.7 . . ?
N22 C127 C128 114.21(17) . . ?
H12A C127 H12B 107.6 . . ?
C128 C127 H12A 108.7 . . ?
C128 C127 H12B 108.7 . . ?
C122 C123 H123 120.2 . . ?
C124 C123 C122 119.62(17) . . ?
C124 C123 H123 120.2 . . ?
N15 C95 Si5 53.45(10) . . ?
N15 C95 N14 105.51(16) . . ?
N15 C95 C100 126.39(18) . . ?
N14 C95 Si5 53.51(9) . . ?
N14 C95 C100 128.06(18) . . ?
C100 C95 Si5 167.77(15) . . ?
C61 C60 C51 118.40(19) . . ?
C62 C60 C51 122.33(18) . . ?
C62 C60 C61 119.22(19) . . ?
C83 C84 H84 120.2 . . ?
C85 C84 C83 119.57(19) . . ?
C85 C84 H84 120.2 . . ?
C134 C132 C131 120.25(18) . . ?
C133 C132 C131 119.65(19) . . ?
C133 C132 C134 120.11(19) . . ?
C105 C100 C95 119.7(2) . . ?
C101 C100 C95 120.4(2) . . ?
C101 C100 C105 119.9(2) . . ?
C125 C124 H124 119.4 . . ?
C123 C124 C125 121.11(18) . . ?
C123 C124 H124 119.4 . . ?
N18 C107 C109 105.72(16) . . ?
N18 C107 C110 110.28(18) . . ?
N18 C107 C108 111.15(17) . . ?
C109 C107 C110 109.17(19) . . ?
C108 C107 C109 109.3(2) . . ?
C108 C107 C110 111.1(2) . . ?
C4 C6 H6 119.5 . . ?
C5 C6 C4 120.95(18) . . ?
C5 C6 H6 119.5 . . ?
C43 C45 H45 120.3 . . ?
C46 C45 C43 119.39(19) . . ?
C46 C45 H45 120.3 . . ?
C82 C86 H86 120.1 . . ?
C85 C86 C82 119.89(18) . . ?
C85 C86 H86 120.1 . . ?
N20 C157 C160 110.8(2) . . ?
N20 C157 C159 104.96(18) . . ?
N20 C157 C158 110.76(19) . . ?
C159 C157 C160 108.0(2) . . ?
C158 C157 C160 111.3(2) . . ?
C158 C157 C159 110.8(3) . . ?
N23 C142 C144 105.27(16) . . ?
N23 C142 C145 111.67(18) . . ?
N23 C142 C143 109.55(18) . . ?
C144 C142 C145 108.93(18) . . ?
C143 C142 C144 109.16(19) . . ?
C143 C142 C145 112.0(2) . . ?
N13 C90 H90A 105.9(16) . . ?
N13 C90 C89 114.1(2) . . ?
N13 C90 H90B 111.1(13) . . ?
H90A C90 H90B 105(2) . . ?
C89 C90 H90A 109.4(16) . . ?
C89 C90 H90B 111.1(13) . . ?
C115 C120 H120 120.1 . . ?
C119 C120 C115 119.9(2) . . ?
C119 C120 H120 120.1 . . ?
C84 C85 H85 119.6 . . ?
C86 C85 C84 120.85(18) . . ?
C86 C85 H85 119.6 . . ?
C42 C44 H44 120.3 . . ?
C46 C44 C42 119.38(19) . . ?
C46 C44 H44 120.3 . . ?
C77 C75 C66 119.1(2) . . ?
C76 C75 C66 121.6(2) . . ?
C76 C75 C77 119.2(2) . . ?
N8 C56 C59 110.19(18) . . ?
N8 C56 C58 105.41(18) . . ?
N8 C56 C57 110.69(19) . . ?
C59 C56 C57 110.5(2) . . ?
C58 C56 C59 109.5(2) . . ?
C58 C56 C57 110.4(2) . . ?
N24 C138 C141 110.21(17) . . ?
N24 C138 C140 112.38(17) . . ?
N24 C138 C139 106.05(17) . . ?
C141 C138 C140 109.2(2) . . ?
C139 C138 C141 109.6(2) . . ?
C139 C138 C140 109.3(2) . . ?
N11 C67 C68 105.32(17) . . ?
N11 C67 C70 109.79(16) . . ?
N11 C67 C69 111.52(18) . . ?
C68 C67 C70 109.54(19) . . ?
C68 C67 C69 108.93(18) . . ?
C69 C67 C70 111.54(19) . . ?
C132 C134 H134 120.2 . . ?
C132 C134 C136 119.7(2) . . ?
C136 C134 H134 120.2 . . ?
C25 C24 H24 119.6 . . ?
C23 C24 C25 120.7(2) . . ?
C23 C24 H24 119.6 . . ?
C45 C46 H46 119.4 . . ?
C44 C46 C45 121.11(19) . . ?
C44 C46 H46 119.4 . . ?
N21 C153 C156 105.63(17) . . ?
N21 C153 C155 109.66(19) . . ?
N21 C153 C154 111.4(2) . . ?
C156 C153 C155 108.2(2) . . ?
C154 C153 C156 109.9(2) . . ?
C154 C153 C155 111.8(2) . . ?
N2 C31 C32 112.28(18) . . ?
N2 C31 C33 105.65(17) . . ?
N2 C31 C34 109.01(18) . . ?
C32 C31 C34 111.22(19) . . ?
C33 C31 C32 109.8(2) . . ?
C33 C31 C34 108.6(2) . . ?
C147 C148 H148 120.1 . . ?
C147 C148 C150 119.9(2) . . ?
C150 C148 H148 120.1 . . ?
C115 C116 H116 119.7 . . ?
C117 C116 C115 120.6(2) . . ?
C117 C116 H116 119.7 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 120.1(2) . . ?
C37 C36 H36 120.0 . . ?
N15 C91 C92 112.91(18) . . ?
N15 C91 C93 108.97(19) . . ?
N15 C91 C94 105.34(18) . . ?
C92 C91 C93 110.5(2) . . ?
C92 C91 C94 109.8(2) . . ?
C94 C91 C93 109.2(2) . . ?
N4 C7 H7A 108.7 . . ?
N4 C7 H7B 108.7 . . ?
N4 C7 C8 114.25(19) . . ?
H7A C7 H7B 107.6 . . ?
C8 C7 H7A 108.7 . . ?
C8 C7 H7B 108.7 . . ?
C60 C61 H61 120.0 . . ?
C60 C61 C65 120.1(2) . . ?
C65 C61 H61 120.0 . . ?
N7 C52 C55 106.13(18) . . ?
N7 C52 C53 111.7(2) . . ?
N7 C52 C54 109.0(2) . . ?
C55 C52 C53 111.1(2) . . ?
C55 C52 C54 107.6(2) . . ?
C53 C52 C54 111.0(3) . . ?
N12 C71 C73 112.1(2) . . ?
N12 C71 C72 105.32(19) . . ?
N12 C71 C74 110.1(2) . . ?
C72 C71 C73 107.7(2) . . ?
C74 C71 C73 110.2(2) . . ?
C74 C71 C72 111.3(3) . . ?
N5 C16 C19 108.71(19) . . ?
N5 C16 C18 111.0(2) . . ?
N5 C16 C17A 109.2(4) . . ?
N5 C16 C19A 101.3(4) . . ?
C19 C16 C18 108.7(3) . . ?
C17 C16 N5 106.95(19) . . ?
C17 C16 C19 112.6(2) . . ?
C17 C16 C18 109.0(2) . . ?
C17A C16 C19A 102.7(6) . . ?
C18A C16 N5 118.3(4) . . ?
C18A C16 C17A 117.3(6) . . ?
C18A C16 C19A 105.3(6) . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C127 C128 H12C 109.5 . . ?
C127 C128 H12D 109.5 . . ?
C127 C128 H12E 109.5 . . ?
H12C C128 H12D 109.5 . . ?
H12C C128 H12E 109.5 . . ?
H12D C128 H12E 109.5 . . ?
C147 C149 H149 120.1 . . ?
C147 C149 C151 119.8(2) . . ?
C151 C149 H149 120.1 . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C100 C105 H105 120.4 . . ?
C100 C105 C104 119.3(3) . . ?
C104 C105 H105 120.4 . . ?
C56 C59 H59A 109.5 . . ?
C56 C59 H59B 109.5 . . ?
C56 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C120 C119 H119 119.9 . . ?
C118 C119 C120 120.2(2) . . ?
C118 C119 H119 119.9 . . ?
C116 C117 H117 120.3 . . ?
C116 C117 C118 119.4(2) . . ?
C118 C117 H117 120.3 . . ?
N9 C47 H47A 108.7 . . ?
N9 C47 H47B 108.7 . . ?
N9 C47 C48 114.4(2) . . ?
H47A C47 H47B 107.6 . . ?
C48 C47 H47A 108.7 . . ?
C48 C47 H47B 108.7 . . ?
N6 C12 C13 105.68(17) . . ?
N6 C12 C15 109.20(19) . . ?
N6 C12 C14 111.1(2) . . ?
C15 C12 C13 109.2(2) . . ?
C14 C12 C13 108.9(2) . . ?
C14 C12 C15 112.5(2) . . ?
N17 C111 C113 105.28(18) . . ?
N17 C111 C112 109.2(2) . . ?
N17 C111 C114 112.21(19) . . ?
C113 C111 C112 109.3(2) . . ?
C113 C111 C114 110.1(3) . . ?
C114 C111 C112 110.7(3) . . ?
C107 C109 H10D 109.5 . . ?
C107 C109 H10E 109.5 . . ?
C107 C109 H10F 109.5 . . ?
H10D C109 H10E 109.5 . . ?
H10D C109 H10F 109.5 . . ?
H10E C109 H10F 109.5 . . ?
N14 C96 C98 111.7(2) . . ?
N14 C96 C97 109.1(2) . . ?
N14 C96 C99 105.46(18) . . ?
C98 C96 C97 111.4(2) . . ?
C98 C96 C99 109.1(2) . . ?
C99 C96 C97 109.8(2) . . ?
C35 C40 H40 120.3 . . ?
C35 C40 C39 119.4(2) . . ?
C39 C40 H40 120.3 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C119 C118 C117 120.4(2) . . ?
C119 C118 H118 119.8 . . ?
C117 C118 H118 119.8 . . ?
C67 C70 H70A 109.5 . . ?
C67 C70 H70B 109.5 . . ?
C67 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C142 C144 H14D 109.5 . . ?
C142 C144 H14E 109.5 . . ?
C142 C144 H14F 109.5 . . ?
H14D C144 H14E 109.5 . . ?
H14D C144 H14F 109.5 . . ?
H14E C144 H14F 109.5 . . ?
N3 C9 H9A 108.5 . . ?
N3 C9 H9B 108.5 . . ?
N3 C9 C10 115.0(2) . . ?
H9A C9 H9B 107.5 . . ?
C10 C9 H9A 108.5 . . ?
C10 C9 H9B 108.5 . . ?
C65 C64 H64 120.3 . . ?
C65 C64 C63 119.5(2) . . ?
C63 C64 H64 120.3 . . ?
C60 C62 H62 120.0 . . ?
C63 C62 C60 120.0(2) . . ?
C63 C62 H62 120.0 . . ?
C61 C65 H65 119.9 . . ?
C64 C65 C61 120.3(2) . . ?
C64 C65 H65 119.9 . . ?
C134 C136 H136 120.2 . . ?
C137 C136 C134 119.7(3) . . ?
C137 C136 H136 120.2 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0(2) . . ?
C22 C21 H21 120.0 . . ?
C90 C89 H89A 109.5 . . ?
C90 C89 H89B 109.5 . . ?
C90 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C132 C133 H133 120.4 . . ?
C132 C133 C135 119.1(3) . . ?
C135 C133 H133 120.4 . . ?
N1 C27 C30 105.7(2) . . ?
N1 C27 C29 110.1(2) . . ?
N1 C27 C28 110.5(2) . . ?
C30 C27 C29 108.4(2) . . ?
C30 C27 C28 110.1(2) . . ?
C28 C27 C29 111.9(3) . . ?
C75 C77 H77 119.6 . . ?
C80 C77 C75 120.7(3) . . ?
C80 C77 H77 119.6 . . ?
C24 C23 H23 120.0 . . ?
C24 C23 C22 120.0(2) . . ?
C22 C23 H23 120.0 . . ?
C36 C37 H37 120.2 . . ?
C38 C37 C36 119.7(2) . . ?
C38 C37 H37 120.2 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C148 C150 H150 119.9 . . ?
C152 C150 C148 120.1(3) . . ?
C152 C150 H150 119.9 . . ?
N10 C49 H49A 109.0 . . ?
N10 C49 H49B 109.0 . . ?
N10 C49 C50 113.1(2) . . ?
H49A C49 H49B 107.8 . . ?
C50 C49 H49A 109.0 . . ?
C50 C49 H49B 109.0 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.4(2) . . ?
C23 C22 H22 119.8 . . ?
C37 C38 H38 119.8 . . ?
C39 C38 C37 120.5(2) . . ?
C39 C38 H38 119.8 . . ?
C64 C63 C62 121.0(2) . . ?
C64 C63 H63 119.5 . . ?
C62 C63 H63 119.5 . . ?
C100 C101 H101 120.1 . . ?
C100 C101 C102 119.9(3) . . ?
C102 C101 H101 120.1 . . ?
C96 C98 H98A 109.5 . . ?
C96 C98 H98B 109.5 . . ?
C96 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C105 C104 H104 119.6 . . ?
C103 C104 C105 120.8(3) . . ?
C103 C104 H104 119.6 . . ?
N19 C129 H12F 108.6 . . ?
N19 C129 H12G 108.6 . . ?
N19 C129 C130 114.6(2) . . ?
H12F C129 H12G 107.6 . . ?
C130 C129 H12F 108.6 . . ?
C130 C129 H12G 108.6 . . ?
C142 C145 H14G 109.5 . . ?
C142 C145 H14H 109.5 . . ?
C142 C145 H14I 109.5 . . ?
H14G C145 H14H 109.5 . . ?
H14G C145 H14I 109.5 . . ?
H14H C145 H14I 109.5 . . ?
C149 C151 H151 119.9 . . ?
C152 C151 C149 120.2(3) . . ?
C152 C151 H151 119.9 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C136 C137 H137 119.7 . . ?
C135 C137 C136 120.7(2) . . ?
C135 C137 H137 119.7 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C40 C39 H39 119.8 . . ?
C38 C39 C40 120.5(2) . . ?
C38 C39 H39 119.8 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C107 C110 H11A 109.5 . . ?
C107 C110 H11B 109.5 . . ?
C107 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C153 C156 H15D 109.5 . . ?
C153 C156 H15E 109.5 . . ?
C153 C156 H15F 109.5 . . ?
H15D C156 H15E 109.5 . . ?
H15D C156 H15F 109.5 . . ?
H15E C156 H15F 109.5 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C107 C108 H10G 109.5 . . ?
C107 C108 H10H 109.5 . . ?
C107 C108 H10I 109.5 . . ?
H10G C108 H10H 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C75 C76 H76 120.6 . . ?
C75 C76 C78 118.8(3) . . ?
C78 C76 H76 120.6 . . ?
C142 C143 H14J 109.5 . . ?
C142 C143 H14K 109.5 . . ?
C142 C143 H14L 109.5 . . ?
H14J C143 H14K 109.5 . . ?
H14J C143 H14L 109.5 . . ?
H14K C143 H14L 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C133 C135 H135 119.6 . . ?
C137 C135 C133 120.8(3) . . ?
C137 C135 H135 119.6 . . ?
C138 C141 H14M 109.5 . . ?
C138 C141 H14N 109.5 . . ?
C138 C141 H14O 109.5 . . ?
H14M C141 H14N 109.5 . . ?
H14M C141 H14O 109.5 . . ?
H14N C141 H14O 109.5 . . ?
C111 C113 H11D 109.5 . . ?
C111 C113 H11E 109.5 . . ?
C111 C113 H11F 109.5 . . ?
H11D C113 H11E 109.5 . . ?
H11D C113 H11F 109.5 . . ?
H11E C113 H11F 109.5 . . ?
C96 C97 H97A 109.5 . . ?
C96 C97 H97B 109.5 . . ?
C96 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C153 C155 H15G 109.5 . . ?
C153 C155 H15H 109.5 . . ?
C153 C155 H15I 109.5 . . ?
H15G C155 H15H 109.5 . . ?
H15G C155 H15I 109.5 . . ?
H15H C155 H15I 109.5 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92B 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C52 C55 H55A 109.5 . . ?
C52 C55 H55B 109.5 . . ?
C52 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C71 C73 H73A 109.5 . . ?
C71 C73 H73B 109.5 . . ?
C71 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C157 C160 H16A 109.5 . . ?
C157 C160 H16B 109.5 . . ?
C157 C160 H16C 109.5 . . ?
H16A C160 H16B 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
C91 C93 H93A 109.5 . . ?
C91 C93 H93B 109.5 . . ?
C91 C93 H93C 109.5 . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C138 C140 H14P 109.5 . . ?
C138 C140 H14Q 109.5 . . ?
C138 C140 H14R 109.5 . . ?
H14P C140 H14Q 109.5 . . ?
H14P C140 H14R 109.5 . . ?
H14Q C140 H14R 109.5 . . ?
C157 C159 H15J 109.5 . . ?
C157 C159 H15K 109.5 . . ?
C157 C159 H15L 109.5 . . ?
H15J C159 H15K 109.5 . . ?
H15J C159 H15L 109.5 . . ?
H15K C159 H15L 109.5 . . ?
C104 C103 H103 119.8 . . ?
C104 C103 C102 120.4(2) . . ?
C102 C103 H103 119.8 . . ?
C111 C112 H11G 109.5 . . ?
C111 C112 H11H 109.5 . . ?
C111 C112 H11I 109.5 . . ?
H11G C112 H11H 109.5 . . ?
H11G C112 H11I 109.5 . . ?
H11H C112 H11I 109.5 . . ?
C129 C130 H13D 109.5 . . ?
C129 C130 H13E 109.5 . . ?
C129 C130 H13F 109.5 . . ?
H13D C130 H13E 109.5 . . ?
H13D C130 H13F 109.5 . . ?
H13E C130 H13F 109.5 . . ?
C150 C152 H152 119.8 . . ?
C151 C152 C150 120.4(2) . . ?
C151 C152 H152 119.8 . . ?
C101 C102 H102 120.1 . . ?
C103 C102 C101 119.8(3) . . ?
C103 C102 H102 120.1 . . ?
C96 C99 H99A 109.5 . . ?
C96 C99 H99B 109.5 . . ?
C96 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C77 C80 H80 120.1 . . ?
C79 C80 C77 119.7(3) . . ?
C79 C80 H80 120.1 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C91 C94 H94A 109.5 . . ?
C91 C94 H94B 109.5 . . ?
C91 C94 H94C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C138 C139 H13G 109.5 . . ?
C138 C139 H13H 109.5 . . ?
C138 C139 H13I 109.5 . . ?
H13G C139 H13H 109.5 . . ?
H13G C139 H13I 109.5 . . ?
H13H C139 H13I 109.5 . . ?
C71 C74 H74A 109.5 . . ?
C71 C74 H74B 109.5 . . ?
C71 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C80 C79 H79 119.3 . . ?
C80 C79 C78 121.4(3) . . ?
C78 C79 H79 119.3 . . ?
C76 C78 H78 119.9 . . ?
C79 C78 C76 120.1(3) . . ?
C79 C78 H78 119.9 . . ?
C153 C154 H15M 109.5 . . ?
C153 C154 H15N 109.5 . . ?
C153 C154 H15O 109.5 . . ?
H15M C154 H15N 109.5 . . ?
H15M C154 H15O 109.5 . . ?
H15N C154 H15O 109.5 . . ?
C157 C158 H15P 109.5 . . ?
C157 C158 H15Q 109.5 . . ?
C157 C158 H15R 109.5 . . ?
H15P C158 H15Q 109.5 . . ?
H15P C158 H15R 109.5 . . ?
H15Q C158 H15R 109.5 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C111 C114 H11J 109.5 . . ?
C111 C114 H11K 109.5 . . ?
C111 C114 H11L 109.5 . . ?
H11J C114 H11K 109.5 . . ?
H11J C114 H11L 109.5 . . ?
H11K C114 H11L 109.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C16 C17A H17D 109.5 . . ?
C16 C17A H17E 109.5 . . ?
C16 C17A H17F 109.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
C16 C18A H18D 109.5 . . ?
C16 C18A H18E 109.5 . . ?
C16 C18A H18F 109.5 . . ?
H18D C18A H18E 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C16 C19A H19D 109.5 . . ?
C16 C19A H19E 109.5 . . ?
C16 C19A H19F 109.5 . . ?
H19D C19A H19E 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?

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
Ni3 Si6 N16 C82 -11.95(13) . . . . ?
Ni3 Si6 N16 C87 177.92(14) . . . . ?
Ni3 Si6 N18 C106 115.70(10) . . . . ?
Ni3 Si6 N18 C107 -40.7(2) . . . . ?
Ni3 Si6 N17 C106 -124.44(10) . . . . ?
Ni3 Si6 N17 C111 47.6(2) . . . . ?
Ni3 Si5 N15 C95 -108.00(11) . . . . ?
Ni3 Si5 N15 C91 52.1(2) . . . . ?
Ni3 Si5 N13 C83 -6.57(14) . . . . ?
Ni3 Si5 N13 C90 175.82(17) . . . . ?
Ni3 Si5 N14 C95 116.54(11) . . . . ?
Ni3 Si5 N14 C96 -40.4(2) . . . . ?
Ni3 C81 C82 N16 5.5(2) . . . . ?
Ni3 C81 C82 C86 -175.43(15) . . . . ?
Ni3 C81 C83 N13 -4.4(2) . . . . ?
Ni3 C81 C83 C84 175.14(15) . . . . ?
Ni2 Si3 N7 C51 117.41(11) . . . . ?
Ni2 Si3 N7 C52 -49.3(2) . . . . ?
Ni2 Si3 N8 C51 -123.22(10) . . . . ?
Ni2 Si3 N8 C56 36.1(2) . . . . ?
Ni2 Si3 N9 C43 -4.43(15) . . . . ?
Ni2 Si3 N9 C47 -175.14(18) . . . . ?
Ni2 Si4 N11 C66 122.90(10) . . . . ?
Ni2 Si4 N11 C67 -33.1(2) . . . . ?
Ni2 Si4 N12 C66 -119.42(11) . . . . ?
Ni2 Si4 N12 C71 70.1(2) . . . . ?
Ni2 Si4 N10 C42 -11.88(15) . . . . ?
Ni2 Si4 N10 C49 170.25(18) . . . . ?
Ni2 C41 C43 N9 1.8(3) . . . . ?
Ni2 C41 C43 C45 -178.22(16) . . . . ?
Ni4 Si8 N22 C126 2.05(14) . . . . ?
Ni4 Si8 N22 C127 -179.60(15) . . . . ?
Ni4 Si8 N23 C131 -111.34(11) . . . . ?
Ni4 Si8 N23 C142 51.7(2) . . . . ?
Ni4 Si8 N24 C131 117.71(10) . . . . ?
Ni4 Si8 N24 C138 -37.4(2) . . . . ?
Ni4 Si7 N20 C146 104.20(12) . . . . ?
Ni4 Si7 N20 C157 -61.1(2) . . . . ?
Ni4 Si7 N21 C146 -120.63(10) . . . . ?
Ni4 Si7 N21 C153 36.9(2) . . . . ?
Ni4 Si7 N19 C122 -4.94(15) . . . . ?
Ni4 Si7 N19 C129 -176.70(19) . . . . ?
Ni4 C121 C122 N19 5.6(2) . . . . ?
Ni4 C121 C122 C123 -174.58(15) . . . . ?
Ni1 Si2 N5 C11 -107.95(11) . . . . ?
Ni1 Si2 N5 C16 54.2(2) . . . . ?
Ni1 Si2 N6 C11 113.36(11) . . . . ?
Ni1 Si2 N6 C12 -48.4(2) . . . . ?
Ni1 Si2 N4 C3 6.07(14) . . . . ?
Ni1 Si2 N4 C7 -178.92(16) . . . . ?
Ni1 Si1 N2 C26 111.34(11) . . . . ?
Ni1 Si1 N2 C31 -42.5(2) . . . . ?
Ni1 Si1 N1 C26 -120.82(11) . . . . ?
Ni1 Si1 N1 C27 41.6(2) . . . . ?
Ni1 Si1 N3 C2 0.12(15) . . . . ?
Ni1 Si1 N3 C9 -169.16(18) . . . . ?
Ni1 C1 C2 N3 0.7(2) . . . . ?
Ni1 C1 C2 C4 179.55(14) . . . . ?
Si8 N22 C126 C121 2.5(2) . . . . ?
Si8 N22 C126 C125 -178.06(14) . . . . ?
Si8 N22 C127 C128 -104.81(19) . . . . ?
Si8 N23 C131 N24 -12.06(14) . . . . ?
Si8 N23 C131 C132 165.82(17) . . . . ?
Si8 N23 C142 C144 39.8(2) . . . . ?
Si8 N23 C142 C145 157.82(17) . . . . ?
Si8 N23 C142 C143 -77.5(2) . . . . ?
Si8 N24 C131 N23 11.96(14) . . . . ?
Si8 N24 C131 C132 -165.91(18) . . . . ?
Si8 N24 C138 C141 74.1(2) . . . . ?
Si8 N24 C138 C140 -163.96(18) . . . . ?
Si8 N24 C138 C139 -44.5(3) . . . . ?
Si8 C131 C132 C133 -0.4(9) . . . . ?
Si6 N16 C82 C81 5.4(2) . . . . ?
Si6 N16 C82 C86 -173.69(15) . . . . ?
Si6 N16 C87 C88 -109.25(19) . . . . ?
Si6 N18 C106 N17 7.56(14) . . . . ?
Si6 N18 C106 C115 -174.89(17) . . . . ?
Si6 N18 C107 C109 -17.2(2) . . . . ?
Si6 N18 C107 C110 -135.11(18) . . . . ?
Si6 N18 C107 C108 101.3(2) . . . . ?
Si6 N17 C106 N18 -7.54(14) . . . . ?
Si6 N17 C106 C115 174.85(16) . . . . ?
Si6 N17 C111 C113 27.5(3) . . . . ?
Si6 N17 C111 C112 -89.7(3) . . . . ?
Si6 N17 C111 C114 147.2(2) . . . . ?
Si2 N5 C11 N6 -12.86(15) . . . . ?
Si2 N5 C11 C20 163.25(17) . . . . ?
Si2 N5 C16 C19 126.7(2) . . . . ?
Si2 N5 C16 C17 4.9(3) . . . . ?
Si2 N5 C16 C18 -113.8(3) . . . . ?
Si2 N5 C16 C17A -55.2(6) . . . . ?
Si2 N5 C16 C18A 167.1(6) . . . . ?
Si2 N5 C16 C19A 52.7(5) . . . . ?
Si2 N6 C11 N5 12.80(15) . . . . ?
Si2 N6 C11 C20 -163.22(18) . . . . ?
Si2 N6 C12 C13 -24.8(3) . . . . ?
Si2 N6 C12 C15 -142.2(2) . . . . ?
Si2 N6 C12 C14 93.1(3) . . . . ?
Si2 N4 C3 C1 -4.1(2) . . . . ?
Si2 N4 C3 C5 175.19(14) . . . . ?
Si2 N4 C7 C8 -99.8(2) . . . . ?
Si2 C11 C20 C25 171.5(5) . . . . ?
Si2 C11 C20 C21 -5.8(7) . . . . ?
Si7 N20 C146 N21 12.32(15) . . . . ?
Si7 N20 C146 C147 -164.83(17) . . . . ?
Si7 N20 C157 C160 -143.55(19) . . . . ?
Si7 N20 C157 C159 -27.2(3) . . . . ?
Si7 N20 C157 C158 92.4(3) . . . . ?
Si7 N21 C146 N20 -12.28(14) . . . . ?
Si7 N21 C146 C147 164.87(17) . . . . ?
Si7 N21 C153 C156 27.0(3) . . . . ?
Si7 N21 C153 C155 143.5(2) . . . . ?
Si7 N21 C153 C154 -92.2(3) . . . . ?
Si7 N19 C122 C121 0.3(2) . . . . ?
Si7 N19 C122 C123 -179.43(16) . . . . ?
Si7 N19 C129 C130 99.0(2) . . . . ?
Si7 C146 C147 C148 -1.2(8) . . . . ?
Si3 N7 C51 N8 5.77(15) . . . . ?
Si3 N7 C51 C60 -177.27(17) . . . . ?
Si3 N7 C52 C55 -17.1(3) . . . . ?
Si3 N7 C52 C53 -138.3(2) . . . . ?
Si3 N7 C52 C54 98.6(2) . . . . ?
Si3 N8 C51 N7 -5.76(15) . . . . ?
Si3 N8 C51 C60 177.32(18) . . . . ?
Si3 N8 C56 C59 137.96(18) . . . . ?
Si3 N8 C56 C58 19.9(3) . . . . ?
Si3 N8 C56 C57 -99.5(2) . . . . ?
Si3 N9 C43 C41 2.1(2) . . . . ?
Si3 N9 C43 C45 -177.84(16) . . . . ?
Si3 N9 C47 C48 98.2(2) . . . . ?
Si4 N11 C66 N12 7.43(15) . . . . ?
Si4 N11 C66 C75 -172.18(19) . . . . ?
Si4 N11 C67 C68 -19.9(3) . . . . ?
Si4 N11 C67 C70 -137.74(18) . . . . ?
Si4 N11 C67 C69 98.1(2) . . . . ?
Si4 N12 C66 N11 -7.41(15) . . . . ?
Si4 N12 C66 C75 172.20(18) . . . . ?
Si4 N12 C71 C73 -131.7(2) . . . . ?
Si4 N12 C71 C72 -14.8(3) . . . . ?
Si4 N12 C71 C74 105.3(3) . . . . ?
Si4 N10 C42 C41 8.8(2) . . . . ?
Si4 N10 C42 C44 -170.85(16) . . . . ?
Si4 N10 C49 C50 -107.6(2) . . . . ?
Si5 N15 C95 N14 -13.10(15) . . . . ?
Si5 N15 C95 C100 164.78(19) . . . . ?
Si5 N15 C91 C92 165.20(18) . . . . ?
Si5 N15 C91 C93 -71.7(3) . . . . ?
Si5 N15 C91 C94 45.4(3) . . . . ?
Si5 N13 C83 C81 7.1(2) . . . . ?
Si5 N13 C83 C84 -172.43(15) . . . . ?
Si5 N13 C90 C89 -107.1(2) . . . . ?
Si5 N14 C95 N15 13.09(16) . . . . ?
Si5 N14 C95 C100 -164.74(19) . . . . ?
Si5 N14 C96 C98 95.0(2) . . . . ?
Si5 N14 C96 C97 -141.3(2) . . . . ?
Si5 N14 C96 C99 -23.3(3) . . . . ?
Si5 C95 C100 C105 178.3(6) . . . . ?
Si5 C95 C100 C101 0.7(8) . . . . ?
Si1 N2 C26 N1 10.55(15) . . . . ?
Si1 N2 C26 C35 -169.97(18) . . . . ?
Si1 N2 C31 C32 -163.06(16) . . . . ?
Si1 N2 C31 C33 -43.4(3) . . . . ?
Si1 N2 C31 C34 73.2(2) . . . . ?
Si1 N1 C26 N2 -10.51(15) . . . . ?
Si1 N1 C26 C35 170.01(18) . . . . ?
Si1 N1 C27 C30 22.7(3) . . . . ?
Si1 N1 C27 C29 -94.2(3) . . . . ?
Si1 N1 C27 C28 141.7(2) . . . . ?
Si1 N3 C2 C1 -0.5(2) . . . . ?
Si1 N3 C2 C4 -179.37(14) . . . . ?
Si1 N3 C9 C10 -109.3(2) . . . . ?
N22 Si8 N23 C131 116.45(12) . . . . ?
N22 Si8 N23 C142 -80.46(19) . . . . ?
N22 Si8 N24 C131 -112.00(12) . . . . ?
N22 Si8 N24 C138 92.88(18) . . . . ?
N22 C126 C121 Ni4 -7.0(2) . . . . ?
N22 C126 C121 C122 176.74(16) . . . . ?
N22 C126 C125 C124 -177.55(18) . . . . ?
N23 Si8 N22 C126 146.41(12) . . . . ?
N23 Si8 N22 C127 -35.24(18) . . . . ?
N23 Si8 N24 C131 -8.81(11) . . . . ?
N23 Si8 N24 C138 -163.93(19) . . . . ?
N23 C131 C132 C134 94.1(3) . . . . ?
N23 C131 C132 C133 -85.8(3) . . . . ?
N16 Si6 N18 C106 -109.50(12) . . . . ?
N16 Si6 N18 C107 94.06(18) . . . . ?
N16 Si6 N17 C106 109.06(11) . . . . ?
N16 Si6 N17 C111 -78.9(2) . . . . ?
N16 C82 C86 C85 178.37(18) . . . . ?
N24 Si8 N22 C126 -137.75(12) . . . . ?
N24 Si8 N22 C127 40.60(19) . . . . ?
N24 Si8 N23 C131 8.83(11) . . . . ?
N24 Si8 N23 C142 171.9(2) . . . . ?
N24 C131 C132 C134 -88.5(3) . . . . ?
N24 C131 C132 C133 91.6(3) . . . . ?
N20 Si7 N21 C146 9.07(11) . . . . ?
N20 Si7 N21 C153 166.6(2) . . . . ?
N20 Si7 N19 C122 -155.34(13) . . . . ?
N20 Si7 N19 C129 32.9(2) . . . . ?
N20 C146 C147 C148 86.0(3) . . . . ?
N20 C146 C147 C149 -93.4(3) . . . . ?
N18 Si6 N16 C82 -159.44(12) . . . . ?
N18 Si6 N16 C87 30.43(17) . . . . ?
N18 Si6 N17 C106 5.60(10) . . . . ?
N18 Si6 N17 C111 177.6(2) . . . . ?
N18 C106 C115 C120 105.4(2) . . . . ?
N18 C106 C115 C116 -77.4(3) . . . . ?
N11 Si4 N12 C66 5.46(11) . . . . ?
N11 Si4 N12 C71 -165.0(2) . . . . ?
N11 Si4 N10 C42 -152.59(14) . . . . ?
N11 Si4 N10 C49 29.5(2) . . . . ?
N11 C66 C75 C77 -80.3(3) . . . . ?
N11 C66 C75 C76 101.7(3) . . . . ?
N5 Si2 N6 C11 -9.51(12) . . . . ?
N5 Si2 N6 C12 -171.3(2) . . . . ?
N5 Si2 N4 C3 150.31(12) . . . . ?
N5 Si2 N4 C7 -34.68(19) . . . . ?
N5 C11 C20 C25 88.5(3) . . . . ?
N5 C11 C20 C21 -88.8(3) . . . . ?
N6 Si2 N5 C11 9.50(11) . . . . ?
N6 Si2 N5 C16 171.7(2) . . . . ?
N6 Si2 N4 C3 -131.96(12) . . . . ?
N6 Si2 N4 C7 43.05(19) . . . . ?
N6 C11 C20 C25 -96.3(2) . . . . ?
N6 C11 C20 C21 86.4(3) . . . . ?
N7 Si3 N8 C51 4.22(11) . . . . ?
N7 Si3 N8 C56 163.6(2) . . . . ?
N7 Si3 N9 C43 -149.22(13) . . . . ?
N7 Si3 N9 C47 40.1(2) . . . . ?
N7 C51 C60 C61 -91.4(3) . . . . ?
N7 C51 C60 C62 86.0(3) . . . . ?
N17 Si6 N16 C82 125.22(13) . . . . ?
N17 Si6 N16 C87 -44.91(17) . . . . ?
N17 Si6 N18 C106 -5.56(10) . . . . ?
N17 Si6 N18 C107 -162.00(19) . . . . ?
N17 C106 C115 C120 -77.5(3) . . . . ?
N17 C106 C115 C116 99.7(2) . . . . ?
N2 Si1 N1 C26 7.76(11) . . . . ?
N2 Si1 N1 C27 170.2(2) . . . . ?
N2 Si1 N3 C2 -147.65(13) . . . . ?
N2 Si1 N3 C9 43.1(2) . . . . ?
N2 C26 C35 C36 88.4(3) . . . . ?
N2 C26 C35 C40 -89.4(3) . . . . ?
N21 Si7 N20 C146 -9.06(11) . . . . ?
N21 Si7 N20 C157 -174.4(2) . . . . ?
N21 Si7 N19 C122 128.09(14) . . . . ?
N21 Si7 N19 C129 -43.7(2) . . . . ?
N21 C146 C147 C148 -90.5(3) . . . . ?
N21 C146 C147 C149 90.0(3) . . . . ?
N12 Si4 N11 C66 -5.44(11) . . . . ?
N12 Si4 N11 C67 -161.4(2) . . . . ?
N12 Si4 N10 C42 132.58(14) . . . . ?
N12 Si4 N10 C49 -45.3(2) . . . . ?
N12 C66 C75 C77 100.2(3) . . . . ?
N12 C66 C75 C76 -77.8(3) . . . . ?
N15 Si5 N13 C83 139.64(13) . . . . ?
N15 Si5 N13 C90 -38.0(2) . . . . ?
N15 Si5 N14 C95 -9.67(12) . . . . ?
N15 Si5 N14 C96 -166.6(2) . . . . ?
N15 C95 C100 C105 93.6(3) . . . . ?
N15 C95 C100 C101 -84.0(3) . . . . ?
N8 Si3 N7 C51 -4.22(11) . . . . ?
N8 Si3 N7 C52 -170.9(2) . . . . ?
N8 Si3 N9 C43 135.64(14) . . . . ?
N8 Si3 N9 C47 -35.1(2) . . . . ?
N8 C51 C60 C61 84.9(3) . . . . ?
N8 C51 C60 C62 -97.6(3) . . . . ?
N4 Si2 N5 C11 116.97(12) . . . . ?
N4 Si2 N5 C16 -80.9(2) . . . . ?
N4 Si2 N6 C11 -116.53(12) . . . . ?
N4 Si2 N6 C12 81.7(2) . . . . ?
N4 C3 C1 Ni1 -0.4(2) . . . . ?
N4 C3 C1 C2 177.57(15) . . . . ?
N4 C3 C5 C6 -178.33(17) . . . . ?
N13 Si5 N15 C95 116.25(13) . . . . ?
N13 Si5 N15 C91 -83.6(2) . . . . ?
N13 Si5 N14 C95 -114.65(13) . . . . ?
N13 Si5 N14 C96 88.4(2) . . . . ?
N13 C83 C84 C85 -179.34(18) . . . . ?
N9 Si3 N7 C51 -109.92(12) . . . . ?
N9 Si3 N7 C52 83.4(2) . . . . ?
N9 Si3 N8 C51 106.52(12) . . . . ?
N9 Si3 N8 C56 -94.1(2) . . . . ?
N9 C43 C45 C46 177.6(2) . . . . ?
N1 Si1 N2 C26 -7.77(11) . . . . ?
N1 Si1 N2 C31 -161.6(2) . . . . ?
N1 Si1 N3 C2 136.70(13) . . . . ?
N1 Si1 N3 C9 -32.6(2) . . . . ?
N1 C26 C35 C36 -92.2(3) . . . . ?
N1 C26 C35 C40 90.0(3) . . . . ?
N14 Si5 N15 C95 9.71(12) . . . . ?
N14 Si5 N15 C91 169.8(2) . . . . ?
N14 Si5 N13 C83 -143.60(13) . . . . ?
N14 Si5 N13 C90 38.8(2) . . . . ?
N14 C95 C100 C105 -89.0(3) . . . . ?
N14 C95 C100 C101 93.4(3) . . . . ?
N3 Si1 N2 C26 -112.39(12) . . . . ?
N3 Si1 N2 C31 93.79(19) . . . . ?
N3 Si1 N1 C26 112.02(12) . . . . ?
N3 Si1 N1 C27 -85.6(2) . . . . ?
N3 C2 C4 C6 178.13(18) . . . . ?
N19 Si7 N20 C146 -116.37(12) . . . . ?
N19 Si7 N20 C157 78.3(2) . . . . ?
N19 Si7 N21 C146 113.11(12) . . . . ?
N19 Si7 N21 C153 -89.3(2) . . . . ?
N19 C122 C123 C124 179.96(19) . . . . ?
N10 Si4 N11 C66 -108.55(12) . . . . ?
N10 Si4 N11 C67 95.47(19) . . . . ?
N10 Si4 N12 C66 109.24(13) . . . . ?
N10 Si4 N12 C71 -61.2(2) . . . . ?
N10 C42 C41 Ni2 -0.3(3) . . . . ?
N10 C42 C41 C43 178.16(18) . . . . ?
N10 C42 C44 C46 179.9(2) . . . . ?
C131 N23 C142 C144 -163.30(19) . . . . ?
C131 N23 C142 C145 -45.2(3) . . . . ?
C131 N23 C142 C143 79.4(3) . . . . ?
C131 N24 C138 C141 -72.4(3) . . . . ?
C131 N24 C138 C140 49.6(3) . . . . ?
C131 N24 C138 C139 169.0(2) . . . . ?
C131 C132 C134 C136 -179.4(2) . . . . ?
C131 C132 C133 C135 -179.8(2) . . . . ?
C81 C82 C86 C85 -0.6(3) . . . . ?
C81 C83 C84 C85 1.2(3) . . . . ?
C126 N22 C127 C128 73.4(2) . . . . ?
C126 C121 C122 N19 -178.09(16) . . . . ?
C126 C121 C122 C123 1.7(3) . . . . ?
C126 C125 C124 C123 0.1(3) . . . . ?
C121 C126 C125 C124 1.9(3) . . . . ?
C121 C122 C123 C124 0.2(3) . . . . ?
C106 N18 C107 C109 -165.99(19) . . . . ?
C106 N18 C107 C110 76.1(3) . . . . ?
C106 N18 C107 C108 -47.5(3) . . . . ?
C106 N17 C111 C113 -163.5(2) . . . . ?
C106 N17 C111 C112 79.3(3) . . . . ?
C106 N17 C111 C114 -43.8(3) . . . . ?
C106 C115 C120 C119 175.5(2) . . . . ?
C106 C115 C116 C117 -174.79(19) . . . . ?
C3 N4 C7 C8 74.8(2) . . . . ?
C3 C1 C2 N3 -177.28(16) . . . . ?
C3 C1 C2 C4 1.6(3) . . . . ?
C3 C5 C6 C4 0.1(3) . . . . ?
C1 C3 C5 C6 0.9(3) . . . . ?
C1 C2 C4 C6 -0.7(3) . . . . ?
C42 N10 C49 C50 74.7(3) . . . . ?
C42 C41 C43 N9 -176.70(17) . . . . ?
C42 C41 C43 C45 3.3(3) . . . . ?
C42 C44 C46 C45 0.8(3) . . . . ?
C146 N20 C157 C160 56.2(3) . . . . ?
C146 N20 C157 C159 172.5(2) . . . . ?
C146 N20 C157 C158 -67.8(3) . . . . ?
C146 N21 C153 C156 176.4(2) . . . . ?
C146 N21 C153 C155 -67.2(3) . . . . ?
C146 N21 C153 C154 57.1(3) . . . . ?
C146 C147 C148 C150 -179.3(2) . . . . ?
C146 C147 C149 C151 179.0(2) . . . . ?
C41 C42 C44 C46 0.3(3) . . . . ?
C41 C43 C45 C46 -2.3(3) . . . . ?
C26 N2 C31 C32 52.2(3) . . . . ?
C26 N2 C31 C33 171.9(2) . . . . ?
C26 N2 C31 C34 -71.5(3) . . . . ?
C26 N1 C27 C30 178.8(2) . . . . ?
C26 N1 C27 C29 61.9(3) . . . . ?
C26 N1 C27 C28 -62.2(3) . . . . ?
C26 C35 C36 C37 -177.0(2) . . . . ?
C26 C35 C40 C39 178.1(2) . . . . ?
C82 N16 C87 C88 81.5(2) . . . . ?
C82 C81 C83 N13 177.55(16) . . . . ?
C82 C81 C83 C84 -2.9(3) . . . . ?
C82 C86 C85 C84 -1.3(3) . . . . ?
C83 N13 C90 C89 75.6(3) . . . . ?
C83 C81 C82 N16 -176.39(16) . . . . ?
C83 C81 C82 C86 2.7(3) . . . . ?
C83 C84 C85 C86 1.1(3) . . . . ?
C25 C20 C21 C22 -0.8(4) . . . . ?
C25 C24 C23 C22 -0.5(4) . . . . ?
C125 C126 C121 Ni4 173.57(14) . . . . ?
C125 C126 C121 C122 -2.7(3) . . . . ?
C11 N5 C16 C19 -77.1(3) . . . . ?
C11 N5 C16 C17 161.1(2) . . . . ?
C11 N5 C16 C18 42.3(3) . . . . ?
C11 N5 C16 C17A 101.0(6) . . . . ?
C11 N5 C16 C18A -36.7(7) . . . . ?
C11 N5 C16 C19A -151.1(4) . . . . ?
C11 N6 C12 C13 179.7(2) . . . . ?
C11 N6 C12 C15 62.3(3) . . . . ?
C11 N6 C12 C14 -62.4(3) . . . . ?
C11 C20 C21 C22 176.5(2) . . . . ?
C122 N19 C129 C130 -72.1(3) . . . . ?
C122 C123 C124 C125 -1.1(3) . . . . ?
C66 N11 C67 C68 -167.91(19) . . . . ?
C66 N11 C67 C70 74.2(3) . . . . ?
C66 N11 C67 C69 -49.9(3) . . . . ?
C66 N12 C71 C73 61.1(3) . . . . ?
C66 N12 C71 C72 177.9(3) . . . . ?
C66 N12 C71 C74 -61.9(3) . . . . ?
C66 C75 C77 C80 -176.1(2) . . . . ?
C66 C75 C76 C78 176.5(2) . . . . ?
C51 N7 C52 C55 -179.3(2) . . . . ?
C51 N7 C52 C53 59.5(3) . . . . ?
C51 N7 C52 C54 -63.7(3) . . . . ?
C51 N8 C56 C59 -69.7(3) . . . . ?
C51 N8 C56 C58 172.2(2) . . . . ?
C51 N8 C56 C57 52.9(3) . . . . ?
C51 C60 C61 C65 176.7(2) . . . . ?
C51 C60 C62 C63 -176.1(2) . . . . ?
C20 C25 C24 C23 -0.2(3) . . . . ?
C20 C21 C22 C23 0.1(4) . . . . ?
C35 C36 C37 C38 -1.3(4) . . . . ?
C35 C40 C39 C38 -0.8(4) . . . . ?
C115 C120 C119 C118 -0.6(4) . . . . ?
C115 C116 C117 C118 -0.9(3) . . . . ?
C43 N9 C47 C48 -71.7(3) . . . . ?
C43 C45 C46 C44 0.2(3) . . . . ?
C2 N3 C9 C10 82.4(3) . . . . ?
C2 C4 C6 C5 -0.1(3) . . . . ?
C147 C148 C150 C152 0.6(4) . . . . ?
C147 C149 C151 C152 -0.1(4) . . . . ?
C87 N16 C82 C81 176.00(16) . . . . ?
C87 N16 C82 C86 -3.1(3) . . . . ?
C5 C3 C1 Ni1 -179.65(14) . . . . ?
C5 C3 C1 C2 -1.7(3) . . . . ?
C127 N22 C126 C121 -176.00(17) . . . . ?
C127 N22 C126 C125 3.5(3) . . . . ?
C95 N15 C91 C92 -42.0(3) . . . . ?
C95 N15 C91 C93 81.1(3) . . . . ?
C95 N15 C91 C94 -161.8(2) . . . . ?
C95 N14 C96 C98 -53.8(3) . . . . ?
C95 N14 C96 C97 69.9(3) . . . . ?
C95 N14 C96 C99 -172.1(2) . . . . ?
C95 C100 C105 C104 -177.5(2) . . . . ?
C95 C100 C101 C102 178.0(2) . . . . ?
C60 C61 C65 C64 -0.5(4) . . . . ?
C60 C62 C63 C64 -0.6(4) . . . . ?
C132 C134 C136 C137 -0.5(4) . . . . ?
C132 C133 C135 C137 -1.3(4) . . . . ?
C100 C105 C104 C103 -0.7(4) . . . . ?
C100 C101 C102 C103 -0.2(4) . . . . ?
C107 N18 C106 Si6 158.3(2) . . . . ?
C107 N18 C106 N17 165.86(17) . . . . ?
C107 N18 C106 C115 -16.6(3) . . . . ?
C157 N20 C146 Si7 166.4(3) . . . . ?
C157 N20 C146 N21 178.7(2) . . . . ?
C157 N20 C146 C147 1.6(3) . . . . ?
C142 N23 C131 Si8 -163.7(2) . . . . ?
C142 N23 C131 N24 -175.73(18) . . . . ?
C142 N23 C131 C132 2.2(3) . . . . ?
C90 N13 C83 C81 -175.16(18) . . . . ?
C90 N13 C83 C84 5.3(3) . . . . ?
C120 C115 C116 C117 2.5(3) . . . . ?
C120 C119 C118 C117 2.2(4) . . . . ?
C44 C42 C41 Ni2 179.25(16) . . . . ?
C44 C42 C41 C43 -2.2(3) . . . . ?
C75 C77 C80 C79 -1.1(4) . . . . ?
C75 C76 C78 C79 0.3(5) . . . . ?
C56 N8 C51 Si3 -160.8(2) . . . . ?
C56 N8 C51 N7 -166.54(19) . . . . ?
C56 N8 C51 C60 16.5(3) . . . . ?
C138 N24 C131 Si8 156.5(2) . . . . ?
C138 N24 C131 N23 168.45(18) . . . . ?
C138 N24 C131 C132 -9.4(3) . . . . ?
C67 N11 C66 Si4 157.6(2) . . . . ?
C67 N11 C66 N12 165.07(18) . . . . ?
C67 N11 C66 C75 -14.5(3) . . . . ?
C134 C132 C133 C135 0.4(3) . . . . ?
C134 C136 C137 C135 -0.4(4) . . . . ?
C24 C25 C20 C11 -176.45(18) . . . . ?
C24 C25 C20 C21 0.9(3) . . . . ?
C24 C23 C22 C21 0.5(4) . . . . ?
C153 N21 C146 Si7 -158.3(2) . . . . ?
C153 N21 C146 N20 -170.6(2) . . . . ?
C153 N21 C146 C147 6.5(3) . . . . ?
C31 N2 C26 Si1 154.9(2) . . . . ?
C31 N2 C26 N1 165.47(18) . . . . ?
C31 N2 C26 C35 -15.0(3) . . . . ?
C148 C147 C149 C151 -0.5(3) . . . . ?
C148 C150 C152 C151 -1.2(4) . . . . ?
C116 C115 C120 C119 -1.8(3) . . . . ?
C116 C117 C118 C119 -1.5(4) . . . . ?
C36 C35 C40 C39 0.2(3) . . . . ?
C36 C37 C38 C39 0.8(4) . . . . ?
C91 N15 C95 Si5 -160.7(3) . . . . ?
C91 N15 C95 N14 -173.8(2) . . . . ?
C91 N15 C95 C100 4.0(3) . . . . ?
C7 N4 C3 C1 -179.53(17) . . . . ?
C7 N4 C3 C5 -0.2(3) . . . . ?
C61 C60 C62 C63 1.4(4) . . . . ?
C52 N7 C51 Si3 167.8(2) . . . . ?
C52 N7 C51 N8 173.5(2) . . . . ?
C52 N7 C51 C60 -9.5(3) . . . . ?
C71 N12 C66 Si4 171.3(3) . . . . ?
C71 N12 C66 N11 163.8(2) . . . . ?
C71 N12 C66 C75 -16.5(3) . . . . ?
C16 N5 C11 Si2 -163.6(2) . . . . ?
C16 N5 C11 N6 -176.45(19) . . . . ?
C16 N5 C11 C20 -0.3(3) . . . . ?
C149 C147 C148 C150 0.2(3) . . . . ?
C149 C151 C152 C150 0.9(4) . . . . ?
C105 C100 C101 C102 0.4(4) . . . . ?
C105 C104 C103 C102 0.8(4) . . . . ?
C47 N9 C43 C41 173.36(19) . . . . ?
C47 N9 C43 C45 -6.6(3) . . . . ?
C12 N6 C11 Si2 163.0(3) . . . . ?
C12 N6 C11 N5 175.8(2) . . . . ?
C12 N6 C11 C20 -0.2(3) . . . . ?
C111 N17 C106 Si6 -172.3(2) . . . . ?
C111 N17 C106 N18 -179.80(19) . . . . ?
C111 N17 C106 C115 2.6(3) . . . . ?
C96 N14 C95 Si5 158.2(3) . . . . ?
C96 N14 C95 N15 171.3(2) . . . . ?
C96 N14 C95 C100 -6.5(4) . . . . ?
C40 C35 C36 C37 0.8(3) . . . . ?
C9 N3 C2 C1 169.37(19) . . . . ?
C9 N3 C2 C4 -9.5(3) . . . . ?
C62 C60 C61 C65 -0.8(3) . . . . ?
C65 C64 C63 C62 -0.8(4) . . . . ?
C136 C137 C135 C133 1.3(4) . . . . ?
C133 C132 C134 C136 0.5(3) . . . . ?
C27 N1 C26 Si1 -163.3(3) . . . . ?
C27 N1 C26 N2 -173.8(2) . . . . ?
C27 N1 C26 C35 6.7(3) . . . . ?
C77 C75 C76 C78 -1.4(4) . . . . ?
C77 C80 C79 C78 -0.1(5) . . . . ?
C37 C38 C39 C40 0.3(4) . . . . ?
C49 N10 C42 C41 -173.2(2) . . . . ?
C49 N10 C42 C44 7.1(3) . . . . ?
C63 C64 C65 C61 1.3(4) . . . . ?
C101 C100 C105 C104 0.1(3) . . . . ?
C104 C103 C102 C101 -0.4(5) . . . . ?
C129 N19 C122 C121 172.8(2) . . . . ?
C129 N19 C122 C123 -7.0(3) . . . . ?
C76 C75 C77 C80 1.9(4) . . . . ?
C80 C79 C78 C76 0.5(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 0.002 -0.024 0.334 242.4 41.3 '1 C4H10O'
2 -0.002 0.024 0.666 242.4 41.6 '1 C4H10O'
3 0.107 0.038 0.176 18.8 0.0 ?
4 0.114 0.389 0.852 161.5 42.0 '1 C4H10O'
5 -0.114 0.611 0.148 161.5 42.4 '1 C4H10O'
6 -0.107 0.962 0.824 18.8 0.0 ?
7 0.500 0.500 0.500 121.3 0.0 ?
8 0.214 0.327 0.241 13.5 0.0 ?
9 0.321 -0.014 0.036 13.0 0.2 ?
10 0.679 0.014 0.964 13.0 0.0 ?
11 0.786 0.673 0.759 13.5 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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 1.292
_oxdiff_exptl_absorpt_empirical_full_min 0.678
