#------------------------------------------------------------------------------
#$Date: 2021-07-05 20:39:17 +0300 (Mon, 05 Jul 2021) $
#$Revision: 267180 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/74/7707463.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7707463
loop_
_publ_author_name
'Holzner, Richard'
'Porzelt, Amelie'
'Karaca, Uhut S.'
'Kiefer, Fiona'
'Frisch, Philipp'
'Wendel, Daniel'
'Holthausen, Max C.'
'Inoue, Shigeyoshi'
_publ_section_title
;
 Imino(silyl)disilenes: application in versatile bond activation,
 reversible oxidation and thermal isomerization.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8785
_journal_page_last               8793
_journal_paper_doi               10.1039/d1dt01629f
_journal_volume                  50
_journal_year                    2021
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C40 H82 N6 P4 Si4'
_chemical_formula_sum            'C40 H82 N6 P4 Si4'
_chemical_formula_weight         883.36
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2021-01-27 deposited with the CCDC.	2021-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.316(6)
_cell_angle_beta                 100.375(6)
_cell_angle_gamma                115.781(5)
_cell_formula_units_Z            2
_cell_length_a                   10.0360(17)
_cell_length_b                   11.430(2)
_cell_length_c                   24.720(4)
_cell_measurement_reflns_used    7426
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.9900
_cell_measurement_theta_min      2.5238
_cell_volume                     2500.4(7)
_computing_cell_refinement       'SAINT (Bruker, 2017)'
_computing_data_collection       'APEX III Control Software (Bruker, 2016)'
_computing_data_reduction        'SAINT (Bruker, 2017)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2014)'
_computing_structure_refinement
'SHELXL2014 (Sheldrick, 2014), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector                 ' CMOS plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       ' κ-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker Photon CMOS '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'IMS microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_av_unetI/netI     0.0127
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            69988
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    0.281
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.7286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2, Bruker, 2016'
_exptl_crystal_colour            'clear colorless'
_exptl_crystal_density_diffrn    1.173
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             960
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.339
_exptl_crystal_size_mid          0.319
_exptl_crystal_size_min          0.256
_refine_diff_density_max         0.335
_refine_diff_density_min         -0.266
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     513
_refine_ls_number_reflns         9439
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0267
_refine_ls_R_factor_gt           0.0245
_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)+(0.0251P)²+1.4676P] WHERE P=(FO²+2FC²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0609
_refine_ls_wR_factor_ref         0.0626
_reflns_number_gt                8839
_reflns_number_total             9439
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            d1dt01629f2.cif
_cod_data_source_block           compound_8
_cod_depositor_comments
'Adding full bibliography for 7707458--7707464.cif.'
_cod_database_code               7707463
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P Uani 0.45943(3) 0.29537(3) 0.27300(2) 1.000 0.0133(1) d . . .
P2 P Uani 0.49020(4) 0.10814(3) 0.27936(2) 1.000 0.0157(1) d . . .
P3 P Uani 0.61432(4) 0.14173(3) 0.21027(2) 1.000 0.0151(1) d . . .
P4 P Uani 0.74089(4) 0.21247(3) 0.29509(2) 1.000 0.0146(1) d . . .
Si1 Si Uani 0.49046(4) 0.26511(3) 0.18579(2) 1.000 0.0128(1) d . . .
Si2 Si Uani 0.69212(4) 0.37596(3) 0.32860(2) 1.000 0.0111(1) d . . .
Si3 Si Uani 0.23943(4) 0.12020(3) 0.13285(2) 1.000 0.0153(1) d . . .
Si4 Si Uani 0.66035(4) 0.32455(3) 0.42246(2) 1.000 0.0122(1) d . . .
N1 N Uani 0.57568(12) 0.38589(10) 0.14910(4) 1.000 0.0184(3) d . . .
N2 N Uani 0.66366(12) 0.47048(11) 0.06708(4) 1.000 0.0182(3) d . . .
N3 N Uani 0.58318(12) 0.58324(10) 0.11370(4) 1.000 0.0171(3) d . . .
N4 N Uani 0.80543(12) 0.53269(10) 0.33127(4) 1.000 0.0151(3) d . . .
N5 N Uani 0.91046(11) 0.76711(10) 0.34018(4) 1.000 0.0148(3) d . . .
N6 N Uani 1.05525(11) 0.68011(10) 0.32006(4) 1.000 0.0155(3) d . . .
C1 C Uani 0.60298(13) 0.47036(12) 0.11359(5) 1.000 0.0153(3) d . . .
C2 C Uani 0.68036(15) 0.58186(14) 0.04079(6) 1.000 0.0231(4) d . . .
C3 C Uani 0.63225(15) 0.64971(13) 0.06879(6) 1.000 0.0217(4) d . . .
C4 C Uani 0.73911(15) 0.38844(14) 0.05589(6) 1.000 0.0224(4) d . . .
C5 C Uani 0.79227(17) 0.42040(16) 0.00128(6) 1.000 0.0322(5) d . . .
C6 C Uani 0.87482(18) 0.42078(18) 0.10296(7) 1.000 0.0361(5) d . . .
C7 C Uani 0.62922(17) 0.24438(14) 0.05075(6) 1.000 0.0281(4) d . . .
C8 C Uani 0.55109(18) 0.63923(13) 0.16129(6) 1.000 0.0261(4) d . . .
C9 C Uani 0.5582(2) 0.77253(15) 0.14934(7) 1.000 0.0364(5) d . . .
C10 C Uani 0.6711(3) 0.65589(17) 0.21201(7) 1.000 0.0503(6) d . . .
C11 C Uani 0.3923(2) 0.54927(16) 0.16898(8) 1.000 0.0424(6) d . . .
C12 C Uani 0.91250(13) 0.64743(11) 0.33107(5) 1.000 0.0124(3) d . . .
C13 C Uani 1.04837(15) 0.86706(12) 0.33432(6) 1.000 0.0212(4) d . . .
C14 C Uani 1.13524(15) 0.81502(13) 0.32186(6) 1.000 0.0215(4) d . . .
C15 C Uani 0.80620(14) 0.80163(12) 0.36543(5) 1.000 0.0160(3) d . . .
C16 C Uani 0.78379(16) 0.90993(13) 0.33467(6) 1.000 0.0229(4) d . . .
C17 C Uani 0.88204(15) 0.85252(13) 0.42592(5) 1.000 0.0213(4) d . . .
C18 C Uani 0.65272(14) 0.68565(13) 0.36266(6) 1.000 0.0210(4) d . . .
C19 C Uani 1.11113(14) 0.58655(13) 0.30443(5) 1.000 0.0189(4) d . . .
C20 C Uani 1.27561(16) 0.66229(16) 0.29838(7) 1.000 0.0301(4) d . . .
C21 C Uani 1.10716(16) 0.49635(14) 0.35011(6) 1.000 0.0253(4) d . . .
C22 C Uani 1.01577(16) 0.51309(14) 0.24869(6) 1.000 0.0231(4) d . . .
C23 C Uani 0.23680(16) 0.20732(14) 0.06824(5) 1.000 0.0246(4) d . . .
C24 C Uani 0.07070(15) 0.11326(13) 0.16271(6) 1.000 0.0223(4) d . . .
C25 C Uani 0.09940(16) 0.25002(14) 0.18394(6) 1.000 0.0259(4) d . . .
C26 C Uani -0.07407(17) 0.06388(18) 0.11690(8) 1.000 0.0396(5) d . . .
C27 C Uani 0.0399(2) 0.02779(17) 0.21054(8) 1.000 0.0386(6) d . . .
C28 C Uani 0.21569(15) -0.05199(13) 0.11028(6) 1.000 0.0231(4) d . . .
C29 C Uani 0.34070(18) -0.03729(15) 0.07945(6) 1.000 0.0286(4) d . . .
C30 C Uani 0.22401(19) -0.13514(14) 0.15827(7) 1.000 0.0320(5) d . . .
C31 C Uani 0.0635(2) -0.12993(17) 0.07045(9) 1.000 0.0489(6) d . . .
C32 C Uani 0.79193(15) 0.48474(12) 0.46452(5) 1.000 0.0189(4) d . . .
C33 C Uani 0.45853(14) 0.28382(12) 0.43274(5) 1.000 0.0162(3) d . . .
C34 C Uani 0.42285(15) 0.39803(13) 0.41606(6) 1.000 0.0207(4) d . . .
C35 C Uani 0.33236(15) 0.15969(13) 0.39916(6) 1.000 0.0213(4) d . . .
C36 C Uani 0.44970(16) 0.26958(14) 0.49399(6) 1.000 0.0230(4) d . . .
C37 C Uani 0.73290(14) 0.20219(12) 0.45279(5) 1.000 0.0169(3) d . . .
C38 C Uani 0.62043(16) 0.06008(12) 0.43309(6) 1.000 0.0217(4) d . . .
C39 C Uani 0.76432(16) 0.21668(14) 0.51670(5) 1.000 0.0228(4) d . . .
C40 C Uani 0.88460(15) 0.23067(13) 0.43670(5) 1.000 0.0205(4) d . . .
H2 H Uiso 0.71972 0.60536 0.00818 1.000 0.0280 c RU . .
H3 H Uiso 0.63142 0.73009 0.05974 1.000 0.0260 c RU . .
H5A H Uiso 0.83605 0.36281 -0.00767 1.000 0.0480 c RU . .
H5B H Uiso 0.86874 0.51146 0.00467 1.000 0.0480 c RU . .
H5C H Uiso 0.70611 0.40742 -0.02817 1.000 0.0480 c RU . .
H6A H Uiso 0.83983 0.39771 0.13769 1.000 0.0540 c RU . .
H6B H Uiso 0.94262 0.51436 0.10601 1.000 0.0540 c RU . .
H6C H Uiso 0.92909 0.37101 0.09538 1.000 0.0540 c RU . .
H7A H Uiso 0.59126 0.22265 0.08501 1.000 0.0420 c RU . .
H7B H Uiso 0.68116 0.19190 0.04410 1.000 0.0420 c RU . .
H7C H Uiso 0.54440 0.22573 0.01983 1.000 0.0420 c RU . .
H9A H Uiso 0.65932 0.83103 0.14354 1.000 0.0550 c RU . .
H9B H Uiso 0.53693 0.80941 0.18074 1.000 0.0550 c RU . .
H9C H Uiso 0.48301 0.76272 0.11607 1.000 0.0550 c RU . .
H10A H Uiso 0.66392 0.57016 0.22091 1.000 0.0750 c RU . .
H10B H Uiso 0.65529 0.69779 0.24333 1.000 0.0750 c RU . .
H10C H Uiso 0.77144 0.71046 0.20447 1.000 0.0750 c RU . .
H11A H Uiso 0.36975 0.58600 0.20008 1.000 0.0640 c RU . .
H11B H Uiso 0.38595 0.46311 0.17656 1.000 0.0640 c RU . .
H11C H Uiso 0.31913 0.54079 0.13527 1.000 0.0640 c RU . .
H13 H Uiso 1.07568 0.95777 0.33857 1.000 0.0250 c RU . .
H14 H Uiso 1.23466 0.86164 0.31531 1.000 0.0260 c RU . .
H16A H Uiso 0.87976 0.98940 0.34095 1.000 0.0340 c RU . .
H16B H Uiso 0.70798 0.92760 0.34838 1.000 0.0340 c RU . .
H16C H Uiso 0.74932 0.88200 0.29503 1.000 0.0340 c RU . .
H17A H Uiso 0.89695 0.78348 0.44551 1.000 0.0320 c RU . .
H17B H Uiso 0.81754 0.87866 0.44332 1.000 0.0320 c RU . .
H17C H Uiso 0.98011 0.92794 0.42761 1.000 0.0320 c RU . .
H18A H Uiso 0.58789 0.71350 0.37897 1.000 0.0310 c RU . .
H18B H Uiso 0.66592 0.61708 0.38322 1.000 0.0310 c RU . .
H18C H Uiso 0.60559 0.65173 0.32401 1.000 0.0310 c RU . .
H20A H Uiso 1.31509 0.60071 0.29039 1.000 0.0450 c RU . .
H20B H Uiso 1.33629 0.71667 0.33283 1.000 0.0450 c RU . .
H20C H Uiso 1.28075 0.71795 0.26805 1.000 0.0450 c RU . .
H21A H Uiso 1.00496 0.45391 0.35772 1.000 0.0380 c RU . .
H21B H Uiso 1.17859 0.54748 0.38369 1.000 0.0380 c RU . .
H21C H Uiso 1.13539 0.42977 0.33824 1.000 0.0380 c RU . .
H22A H Uiso 0.90948 0.46690 0.25162 1.000 0.0350 c RU . .
H22B H Uiso 1.05041 0.45000 0.23796 1.000 0.0350 c RU . .
H22C H Uiso 1.02625 0.57523 0.22071 1.000 0.0350 c RU . .
H23A H Uiso 0.23189 0.28898 0.07685 1.000 0.0370 c RU . .
H23B H Uiso 0.14825 0.15153 0.04008 1.000 0.0370 c RU . .
H23C H Uiso 0.32891 0.22666 0.05428 1.000 0.0370 c RU . .
H25A H Uiso 0.18675 0.28495 0.21477 1.000 0.0390 c RU . .
H25B H Uiso 0.01011 0.24513 0.19655 1.000 0.0390 c RU . .
H25C H Uiso 0.11969 0.30747 0.15409 1.000 0.0390 c RU . .
H26A H Uiso -0.15527 0.07011 0.13169 1.000 0.0590 c RU . .
H26B H Uiso -0.10487 -0.02724 0.10419 1.000 0.0590 c RU . .
H26C H Uiso -0.05365 0.11754 0.08583 1.000 0.0590 c RU . .
H27A H Uiso -0.03998 0.03410 0.22622 1.000 0.0580 c RU . .
H27B H Uiso 0.13231 0.05751 0.23907 1.000 0.0580 c RU . .
H27C H Uiso 0.00766 -0.06311 0.19704 1.000 0.0580 c RU . .
H29A H Uiso 0.43934 0.00817 0.10444 1.000 0.0430 c RU . .
H29B H Uiso 0.33639 0.01321 0.04783 1.000 0.0430 c RU . .
H29C H Uiso 0.32638 -0.12384 0.06634 1.000 0.0430 c RU . .
H30A H Uiso 0.14364 -0.14803 0.17836 1.000 0.0480 c RU . .
H30B H Uiso 0.32250 -0.09031 0.18341 1.000 0.0480 c RU . .
H30C H Uiso 0.21119 -0.22007 0.14365 1.000 0.0480 c RU . .
H31A H Uiso -0.01889 -0.15133 0.09045 1.000 0.0730 c RU . .
H31B H Uiso 0.06019 -0.21067 0.05518 1.000 0.0730 c RU . .
H31C H Uiso 0.05211 -0.07750 0.04033 1.000 0.0730 c RU . .
H32A H Uiso 0.78601 0.47583 0.50353 1.000 0.0280 c RU . .
H32B H Uiso 0.76242 0.55259 0.45154 1.000 0.0280 c RU . .
H32C H Uiso 0.89573 0.50902 0.46034 1.000 0.0280 c RU . .
H34A H Uiso 0.49707 0.47797 0.43895 1.000 0.0310 c RU . .
H34B H Uiso 0.32134 0.37902 0.42150 1.000 0.0310 c RU . .
H34C H Uiso 0.42739 0.40992 0.37709 1.000 0.0310 c RU . .
H35A H Uiso 0.23488 0.14670 0.40707 1.000 0.0320 c RU . .
H35B H Uiso 0.35086 0.08449 0.40929 1.000 0.0320 c RU . .
H35C H Uiso 0.33072 0.16854 0.35967 1.000 0.0320 c RU . .
H36A H Uiso 0.53635 0.34273 0.51688 1.000 0.0340 c RU . .
H36B H Uiso 0.45127 0.18734 0.50410 1.000 0.0340 c RU . .
H36C H Uiso 0.35584 0.26960 0.50004 1.000 0.0340 c RU . .
H38A H Uiso 0.53012 0.03657 0.44880 1.000 0.0330 c RU . .
H38B H Uiso 0.66738 0.00279 0.44521 1.000 0.0330 c RU . .
H38C H Uiso 0.59186 0.05001 0.39268 1.000 0.0330 c RU . .
H39A H Uiso 0.84361 0.30449 0.53048 1.000 0.0340 c RU . .
H39B H Uiso 0.79749 0.15175 0.53089 1.000 0.0340 c RU . .
H39C H Uiso 0.67176 0.20299 0.52920 1.000 0.0340 c RU . .
H40A H Uiso 0.92629 0.17524 0.45572 1.000 0.0310 c RU . .
H40B H Uiso 0.95554 0.32263 0.44749 1.000 0.0310 c RU . .
H40C H Uiso 0.86854 0.21227 0.39667 1.000 0.0310 c RU . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 P1 Si1 79.87(2) . . . yes
P2 P1 Si2 80.17(2) . . . yes
Si1 P1 Si2 106.69(2) . . . yes
P1 P2 P3 94.95(2) . . . yes
P1 P2 P4 94.26(2) . . . yes
P3 P2 P4 58.91(2) . . . yes
P2 P3 P4 60.35(2) . . . yes
P2 P3 Si1 81.35(2) . . . yes
P4 P3 Si1 107.01(2) . . . yes
P2 P4 P3 60.74(2) . . . yes
P2 P4 Si2 80.78(2) . . . yes
P3 P4 Si2 110.06(2) . . . yes
P1 Si1 P3 94.22(2) . . . yes
P1 Si1 Si3 105.94(2) . . . yes
P1 Si1 N1 123.63(4) . . . yes
P3 Si1 Si3 107.57(2) . . . yes
P3 Si1 N1 114.51(5) . . . yes
Si3 Si1 N1 109.32(5) . . . yes
P1 Si2 P4 92.52(2) . . . yes
P1 Si2 Si4 108.14(2) . . . yes
P1 Si2 N4 118.80(5) . . . yes
P4 Si2 Si4 103.80(2) . . . yes
P4 Si2 N4 124.07(5) . . . yes
Si4 Si2 N4 107.66(4) . . . yes
Si1 Si3 C23 100.51(5) . . . yes
Si1 Si3 C24 115.91(5) . . . yes
Si1 Si3 C28 114.06(5) . . . yes
C23 Si3 C24 105.36(7) . . . yes
C23 Si3 C28 106.91(7) . . . yes
C24 Si3 C28 112.51(6) . . . yes
Si2 Si4 C32 102.49(4) . . . yes
Si2 Si4 C33 112.33(4) . . . yes
Si2 Si4 C37 116.14(4) . . . yes
C32 Si4 C33 106.93(6) . . . yes
C32 Si4 C37 104.43(6) . . . yes
C33 Si4 C37 113.14(6) . . . yes
Si1 N1 C1 163.65(12) . . . yes
C1 N2 C2 108.89(12) . . . yes
C1 N2 C4 125.52(11) . . . yes
C2 N2 C4 123.47(12) . . . yes
C1 N3 C3 109.26(11) . . . yes
C1 N3 C8 124.34(10) . . . yes
C3 N3 C8 124.82(11) . . . yes
Si2 N4 C12 168.74(12) . . . yes
C12 N5 C13 108.97(12) . . . yes
C12 N5 C15 131.02(11) . . . yes
C13 N5 C15 118.47(11) . . . yes
C12 N6 C14 109.69(11) . . . yes
C12 N6 C19 125.83(10) . . . yes
C14 N6 C19 124.33(12) . . . yes
N1 C1 N2 127.19(12) . . . yes
N1 C1 N3 127.90(12) . . . yes
N2 C1 N3 104.89(10) . . . yes
N2 C2 C3 108.62(13) . . . yes
N3 C3 C2 108.35(12) . . . yes
N2 C4 C5 108.87(12) . . . yes
N2 C4 C6 108.25(12) . . . yes
N2 C4 C7 110.57(13) . . . yes
C5 C4 C6 109.83(14) . . . no
C5 C4 C7 108.29(12) . . . no
C6 C4 C7 111.02(13) . . . no
N3 C8 C9 109.51(12) . . . yes
N3 C8 C10 108.39(16) . . . yes
N3 C8 C11 108.92(12) . . . yes
C9 C8 C10 109.12(13) . . . no
C9 C8 C11 108.53(16) . . . no
C10 C8 C11 112.35(15) . . . no
N4 C12 N5 127.79(13) . . . yes
N4 C12 N6 127.70(12) . . . yes
N5 C12 N6 104.49(10) . . . yes
N5 C13 C14 108.90(12) . . . yes
N6 C14 C13 107.95(13) . . . yes
N5 C15 C16 108.59(11) . . . yes
N5 C15 C17 107.58(12) . . . yes
N5 C15 C18 112.53(11) . . . yes
C16 C15 C17 109.49(11) . . . no
C16 C15 C18 109.03(12) . . . no
C17 C15 C18 109.57(11) . . . no
N6 C19 C20 109.15(11) . . . yes
N6 C19 C21 109.71(11) . . . yes
N6 C19 C22 108.41(12) . . . yes
C20 C19 C21 107.80(13) . . . no
C20 C19 C22 108.65(12) . . . no
C21 C19 C22 113.06(11) . . . no
Si3 C24 C25 110.77(10) . . . yes
Si3 C24 C26 110.55(11) . . . yes
Si3 C24 C27 112.88(12) . . . yes
C25 C24 C26 105.38(13) . . . no
C25 C24 C27 107.49(13) . . . no
C26 C24 C27 109.47(14) . . . no
Si3 C28 C29 109.08(10) . . . yes
Si3 C28 C30 114.34(10) . . . yes
Si3 C28 C31 110.75(12) . . . yes
C29 C28 C30 107.51(14) . . . no
C29 C28 C31 107.51(13) . . . no
C30 C28 C31 107.39(13) . . . no
Si4 C33 C34 108.68(9) . . . yes
Si4 C33 C35 115.17(10) . . . yes
Si4 C33 C36 110.42(10) . . . yes
C34 C33 C35 107.37(12) . . . no
C34 C33 C36 107.24(11) . . . no
C35 C33 C36 107.65(11) . . . no
Si4 C37 C38 112.42(10) . . . yes
Si4 C37 C39 111.20(10) . . . yes
Si4 C37 C40 110.01(9) . . . yes
C38 C37 C39 107.85(11) . . . no
C38 C37 C40 109.00(12) . . . no
C39 C37 C40 106.13(12) . . . no
N2 C2 H2 126.00 . . . no
C3 C2 H2 126.00 . . . no
N3 C3 H3 126.00 . . . no
C2 C3 H3 126.00 . . . no
C4 C5 H5A 109.00 . . . no
C4 C5 H5B 109.00 . . . no
C4 C5 H5C 109.00 . . . no
H5A C5 H5B 109.00 . . . no
H5A C5 H5C 109.00 . . . no
H5B C5 H5C 109.00 . . . no
C4 C6 H6A 109.00 . . . no
C4 C6 H6B 109.00 . . . no
C4 C6 H6C 109.00 . . . no
H6A C6 H6B 109.00 . . . no
H6A C6 H6C 109.00 . . . no
H6B C6 H6C 109.00 . . . no
C4 C7 H7A 109.00 . . . no
C4 C7 H7B 109.00 . . . no
C4 C7 H7C 109.00 . . . no
H7A C7 H7B 109.00 . . . no
H7A C7 H7C 109.00 . . . no
H7B C7 H7C 109.00 . . . no
C8 C9 H9A 109.00 . . . no
C8 C9 H9B 109.00 . . . no
C8 C9 H9C 109.00 . . . no
H9A C9 H9B 109.00 . . . no
H9A C9 H9C 109.00 . . . no
H9B C9 H9C 109.00 . . . no
C8 C10 H10A 109.00 . . . no
C8 C10 H10B 109.00 . . . no
C8 C10 H10C 109.00 . . . no
H10A C10 H10B 109.00 . . . no
H10A C10 H10C 109.00 . . . no
H10B C10 H10C 109.00 . . . no
C8 C11 H11A 109.00 . . . no
C8 C11 H11B 109.00 . . . no
C8 C11 H11C 109.00 . . . no
H11A C11 H11B 109.00 . . . no
H11A C11 H11C 110.00 . . . no
H11B C11 H11C 109.00 . . . no
N5 C13 H13 126.00 . . . no
C14 C13 H13 126.00 . . . no
N6 C14 H14 126.00 . . . no
C13 C14 H14 126.00 . . . no
C15 C16 H16A 109.00 . . . no
C15 C16 H16B 109.00 . . . no
C15 C16 H16C 109.00 . . . no
H16A C16 H16B 109.00 . . . no
H16A C16 H16C 109.00 . . . no
H16B C16 H16C 109.00 . . . no
C15 C17 H17A 109.00 . . . no
C15 C17 H17B 109.00 . . . no
C15 C17 H17C 109.00 . . . no
H17A C17 H17B 109.00 . . . no
H17A C17 H17C 109.00 . . . no
H17B C17 H17C 109.00 . . . no
C15 C18 H18A 109.00 . . . no
C15 C18 H18B 109.00 . . . no
C15 C18 H18C 109.00 . . . no
H18A C18 H18B 109.00 . . . no
H18A C18 H18C 109.00 . . . no
H18B C18 H18C 109.00 . . . no
C19 C20 H20A 109.00 . . . no
C19 C20 H20B 109.00 . . . no
C19 C20 H20C 109.00 . . . no
H20A C20 H20B 109.00 . . . no
H20A C20 H20C 109.00 . . . no
H20B C20 H20C 109.00 . . . no
C19 C21 H21A 109.00 . . . no
C19 C21 H21B 109.00 . . . no
C19 C21 H21C 109.00 . . . no
H21A C21 H21B 109.00 . . . no
H21A C21 H21C 109.00 . . . no
H21B C21 H21C 109.00 . . . no
C19 C22 H22A 109.00 . . . no
C19 C22 H22B 109.00 . . . no
C19 C22 H22C 109.00 . . . no
H22A C22 H22B 109.00 . . . no
H22A C22 H22C 109.00 . . . no
H22B C22 H22C 109.00 . . . no
Si3 C23 H23A 109.00 . . . no
Si3 C23 H23B 109.00 . . . no
Si3 C23 H23C 109.00 . . . no
H23A C23 H23B 109.00 . . . no
H23A C23 H23C 109.00 . . . no
H23B C23 H23C 109.00 . . . no
C24 C25 H25A 109.00 . . . no
C24 C25 H25B 109.00 . . . no
C24 C25 H25C 109.00 . . . no
H25A C25 H25B 109.00 . . . no
H25A C25 H25C 109.00 . . . no
H25B C25 H25C 109.00 . . . no
C24 C26 H26A 109.00 . . . no
C24 C26 H26B 109.00 . . . no
C24 C26 H26C 109.00 . . . no
H26A C26 H26B 109.00 . . . no
H26A C26 H26C 109.00 . . . no
H26B C26 H26C 109.00 . . . no
C24 C27 H27A 109.00 . . . no
C24 C27 H27B 109.00 . . . no
C24 C27 H27C 109.00 . . . no
H27A C27 H27B 109.00 . . . no
H27A C27 H27C 109.00 . . . no
H27B C27 H27C 109.00 . . . no
C28 C29 H29A 109.00 . . . no
C28 C29 H29B 109.00 . . . no
C28 C29 H29C 109.00 . . . no
H29A C29 H29B 109.00 . . . no
H29A C29 H29C 109.00 . . . no
H29B C29 H29C 109.00 . . . no
C28 C30 H30A 109.00 . . . no
C28 C30 H30B 109.00 . . . no
C28 C30 H30C 109.00 . . . no
H30A C30 H30B 109.00 . . . no
H30A C30 H30C 109.00 . . . no
H30B C30 H30C 109.00 . . . no
C28 C31 H31A 109.00 . . . no
C28 C31 H31B 109.00 . . . no
C28 C31 H31C 109.00 . . . no
H31A C31 H31B 109.00 . . . no
H31A C31 H31C 109.00 . . . no
H31B C31 H31C 109.00 . . . no
Si4 C32 H32A 109.00 . . . no
Si4 C32 H32B 109.00 . . . no
Si4 C32 H32C 109.00 . . . no
H32A C32 H32B 109.00 . . . no
H32A C32 H32C 109.00 . . . no
H32B C32 H32C 109.00 . . . no
C33 C34 H34A 109.00 . . . no
C33 C34 H34B 109.00 . . . no
C33 C34 H34C 109.00 . . . no
H34A C34 H34B 109.00 . . . no
H34A C34 H34C 109.00 . . . no
H34B C34 H34C 109.00 . . . no
C33 C35 H35A 109.00 . . . no
C33 C35 H35B 109.00 . . . no
C33 C35 H35C 109.00 . . . no
H35A C35 H35B 109.00 . . . no
H35A C35 H35C 109.00 . . . no
H35B C35 H35C 109.00 . . . no
C33 C36 H36A 109.00 . . . no
C33 C36 H36B 109.00 . . . no
C33 C36 H36C 109.00 . . . no
H36A C36 H36B 109.00 . . . no
H36A C36 H36C 109.00 . . . no
H36B C36 H36C 109.00 . . . no
C37 C38 H38A 109.00 . . . no
C37 C38 H38B 109.00 . . . no
C37 C38 H38C 109.00 . . . no
H38A C38 H38B 109.00 . . . no
H38A C38 H38C 109.00 . . . no
H38B C38 H38C 109.00 . . . no
C37 C39 H39A 109.00 . . . no
C37 C39 H39B 109.00 . . . no
C37 C39 H39C 109.00 . . . no
H39A C39 H39B 109.00 . . . no
H39A C39 H39C 109.00 . . . no
H39B C39 H39C 109.00 . . . no
C37 C40 H40A 109.00 . . . no
C37 C40 H40B 109.00 . . . no
C37 C40 H40C 109.00 . . . no
H40A C40 H40B 109.00 . . . no
H40A C40 H40C 109.00 . . . no
H40B C40 H40C 109.00 . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 P2 2.2937(6) . . yes
P1 Si1 2.2785(8) . . yes
P1 Si2 2.2693(7) . . yes
P2 P3 2.2301(8) . . yes
P2 P4 2.2217(7) . . yes
P3 P4 2.1891(8) . . yes
P3 Si1 2.2723(7) . . yes
P4 Si2 2.3114(7) . . yes
Si1 Si3 2.4417(7) . . yes
Si1 N1 1.6511(11) . . yes
Si2 Si4 2.4390(8) . . yes
Si2 N4 1.6451(11) . . yes
Si3 C23 1.8890(14) . . yes
Si3 C24 1.9372(17) . . yes
Si3 C28 1.9426(15) . . yes
Si4 C32 1.8864(13) . . yes
Si4 C33 1.9366(16) . . yes
Si4 C37 1.9362(15) . . yes
N1 C1 1.2821(16) . . yes
N2 C1 1.3944(17) . . yes
N2 C2 1.3907(18) . . yes
N2 C4 1.490(2) . . yes
N3 C1 1.3883(17) . . yes
N3 C3 1.3903(18) . . yes
N3 C8 1.485(2) . . yes
N4 C12 1.2848(16) . . yes
N5 C12 1.3946(16) . . yes
N5 C13 1.3930(18) . . yes
N5 C15 1.4939(19) . . yes
N6 C12 1.3936(19) . . yes
N6 C14 1.3906(17) . . yes
N6 C19 1.4841(19) . . yes
C2 C3 1.324(2) . . no
C4 C5 1.528(2) . . no
C4 C6 1.527(2) . . no
C4 C7 1.520(2) . . no
C8 C9 1.527(2) . . no
C8 C10 1.521(3) . . no
C8 C11 1.523(3) . . no
C13 C14 1.325(2) . . no
C15 C16 1.534(2) . . no
C15 C17 1.5326(18) . . no
C15 C18 1.523(2) . . no
C19 C20 1.531(2) . . no
C19 C21 1.527(2) . . no
C19 C22 1.527(2) . . no
C24 C25 1.532(2) . . no
C24 C26 1.549(2) . . no
C24 C27 1.526(2) . . no
C28 C29 1.532(2) . . no
C28 C30 1.537(2) . . no
C28 C31 1.537(3) . . no
C33 C34 1.537(2) . . no
C33 C35 1.5333(19) . . no
C33 C36 1.5380(19) . . no
C37 C38 1.5323(18) . . no
C37 C39 1.5476(17) . . no
C37 C40 1.540(2) . . no
C2 H2 0.9500 . . no
C3 H3 0.9500 . . no
C5 H5A 0.9800 . . no
C5 H5B 0.9800 . . no
C5 H5C 0.9800 . . no
C6 H6A 0.9800 . . no
C6 H6B 0.9800 . . no
C6 H6C 0.9800 . . no
C7 H7A 0.9800 . . no
C7 H7B 0.9800 . . no
C7 H7C 0.9800 . . no
C9 H9A 0.9800 . . no
C9 H9B 0.9800 . . no
C9 H9C 0.9800 . . no
C10 H10A 0.9800 . . no
C10 H10B 0.9800 . . no
C10 H10C 0.9800 . . no
C11 H11A 0.9800 . . no
C11 H11B 0.9800 . . no
C11 H11C 0.9800 . . no
C13 H13 0.9500 . . no
C14 H14 0.9500 . . no
C16 H16A 0.9800 . . no
C16 H16B 0.9800 . . no
C16 H16C 0.9800 . . no
C17 H17A 0.9800 . . no
C17 H17B 0.9800 . . no
C17 H17C 0.9800 . . no
C18 H18A 0.9800 . . no
C18 H18B 0.9800 . . no
C18 H18C 0.9800 . . no
C20 H20A 0.9800 . . no
C20 H20B 0.9800 . . no
C20 H20C 0.9800 . . no
C21 H21A 0.9800 . . no
C21 H21B 0.9800 . . no
C21 H21C 0.9800 . . no
C22 H22A 0.9800 . . no
C22 H22B 0.9800 . . no
C22 H22C 0.9800 . . no
C23 H23A 0.9800 . . no
C23 H23B 0.9800 . . no
C23 H23C 0.9800 . . no
C25 H25A 0.9800 . . no
C25 H25B 0.9800 . . no
C25 H25C 0.9800 . . no
C26 H26A 0.9800 . . no
C26 H26B 0.9800 . . no
C26 H26C 0.9800 . . no
C27 H27A 0.9800 . . no
C27 H27B 0.9800 . . no
C27 H27C 0.9800 . . no
C29 H29A 0.9800 . . no
C29 H29B 0.9800 . . no
C29 H29C 0.9800 . . no
C30 H30A 0.9800 . . no
C30 H30B 0.9800 . . no
C30 H30C 0.9800 . . no
C31 H31A 0.9800 . . no
C31 H31B 0.9800 . . no
C31 H31C 0.9800 . . no
C32 H32A 0.9800 . . no
C32 H32B 0.9800 . . no
C32 H32C 0.9800 . . no
C34 H34A 0.9800 . . no
C34 H34B 0.9800 . . no
C34 H34C 0.9800 . . no
C35 H35A 0.9800 . . no
C35 H35B 0.9800 . . no
C35 H35C 0.9800 . . no
C36 H36A 0.9800 . . no
C36 H36B 0.9800 . . no
C36 H36C 0.9800 . . no
C38 H38A 0.9800 . . no
C38 H38B 0.9800 . . no
C38 H38C 0.9800 . . no
C39 H39A 0.9800 . . no
C39 H39B 0.9800 . . no
C39 H39C 0.9800 . . no
C40 H40A 0.9800 . . no
C40 H40B 0.9800 . . no
C40 H40C 0.9800 . . no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C7 H7A N1 0.9800 2.5200 3.162(2) 123.00 . yes
C10 H10A N1 0.9800 2.4800 3.114(2) 122.00 . yes
C11 H11B N1 0.9800 2.6100 3.228(2) 122.00 . yes
C18 H18B N4 0.9800 2.5200 2.958(2) 107.00 . yes
C21 H21A N4 0.9800 2.5200 3.186(2) 125.00 . yes
C25 H25A P1 0.9800 2.8100 3.6965(18) 152.00 . yes
C29 H29A P3 0.9800 2.8700 3.7452(17) 149.00 . yes
C35 H35C P1 0.9800 2.7900 3.6774(16) 152.00 . yes
C40 H40C P4 0.9800 2.6100 3.5057(15) 153.00 . yes
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
Si1 P1 P2 P3 23.33(2) . . . . no
Si1 P1 P2 P4 82.44(2) . . . . no
Si2 P1 P2 P3 -85.76(2) . . . . no
Si2 P1 P2 P4 -26.64(2) . . . . no
Si1 P1 Si2 P4 -50.72(2) . . . . no
P2 P1 Si2 Si4 -79.92(2) . . . . no
Si1 P1 Si2 Si4 -156.13(2) . . . . no
P2 P1 Si2 N4 157.10(5) . . . . no
Si1 P1 Si2 N4 80.89(5) . . . . no
Si2 P1 Si1 Si3 163.21(2) . . . . no
P2 P1 Si1 N1 -146.12(6) . . . . no
Si2 P1 Si1 N1 -69.69(6) . . . . no
P2 P1 Si2 P4 25.49(2) . . . . no
P2 P1 Si1 P3 -22.85(2) . . . . no
Si2 P1 Si1 P3 53.58(2) . . . . no
P2 P1 Si1 Si3 86.78(2) . . . . no
P3 P2 P4 Si2 119.29(2) . . . . no
P1 P2 P4 Si2 26.07(2) . . . . no
P1 P2 P3 Si1 -23.29(2) . . . . no
P4 P2 P3 Si1 -115.28(2) . . . . no
P1 P2 P3 P4 91.99(2) . . . . no
P1 P2 P4 P3 -93.22(2) . . . . no
Si1 P3 P4 P2 69.20(2) . . . . no
Si1 P3 P4 Si2 2.79(3) . . . . no
P2 P3 P4 Si2 -66.42(2) . . . . no
P4 P3 Si1 N1 98.25(5) . . . . no
P2 P3 Si1 Si3 -84.77(2) . . . . no
P2 P3 Si1 P1 23.43(2) . . . . no
P4 P3 Si1 P1 -31.84(2) . . . . no
P4 P3 Si1 Si3 -140.03(2) . . . . no
P2 P3 Si1 N1 153.52(5) . . . . no
P3 P4 Si2 P1 27.77(3) . . . . no
P2 P4 Si2 P1 -26.32(2) . . . . no
P2 P4 Si2 N4 -154.04(5) . . . . no
P2 P4 Si2 Si4 83.05(2) . . . . no
P3 P4 Si2 Si4 137.15(2) . . . . no
P3 P4 Si2 N4 -99.95(5) . . . . no
N1 Si1 Si3 C28 112.68(7) . . . . no
N1 Si1 Si3 C23 -1.32(7) . . . . no
N1 Si1 Si3 C24 -114.25(7) . . . . no
P1 Si1 Si3 C23 133.95(5) . . . . no
P1 Si1 Si3 C24 21.03(5) . . . . no
P1 Si1 Si3 C28 -112.05(5) . . . . no
P3 Si1 Si3 C23 -126.21(5) . . . . no
P3 Si1 Si3 C24 120.86(5) . . . . no
P3 Si1 Si3 C28 -12.21(6) . . . . no
P1 Si2 Si4 C32 -133.60(5) . . . . no
P1 Si2 Si4 C33 -19.19(5) . . . . no
P1 Si2 Si4 C37 113.25(5) . . . . no
P4 Si2 Si4 C32 129.04(5) . . . . no
P4 Si2 Si4 C33 -116.55(5) . . . . no
P4 Si2 Si4 C37 15.89(5) . . . . no
N4 Si2 Si4 C32 -4.09(7) . . . . no
N4 Si2 Si4 C33 110.32(7) . . . . no
N4 Si2 Si4 C37 -117.24(7) . . . . no
Si1 Si3 C24 C25 41.97(11) . . . . no
Si1 Si3 C24 C26 158.40(9) . . . . no
Si1 Si3 C24 C27 -78.62(11) . . . . no
C23 Si3 C24 C25 -68.13(11) . . . . no
C23 Si3 C24 C26 48.30(12) . . . . no
C23 Si3 C24 C27 171.28(11) . . . . no
C28 Si3 C24 C25 175.75(10) . . . . no
C28 Si3 C24 C26 -67.83(12) . . . . no
C28 Si3 C24 C27 55.16(13) . . . . no
Si1 Si3 C28 C29 -53.76(11) . . . . no
Si1 Si3 C28 C30 66.63(13) . . . . no
Si1 Si3 C28 C31 -171.88(10) . . . . no
C23 Si3 C28 C29 56.39(12) . . . . no
C23 Si3 C28 C30 176.78(12) . . . . no
C23 Si3 C28 C31 -61.74(13) . . . . no
C24 Si3 C28 C29 171.58(10) . . . . no
C24 Si3 C28 C30 -68.03(14) . . . . no
C24 Si3 C28 C31 53.45(13) . . . . no
Si2 Si4 C33 C34 -55.33(9) . . . . no
Si2 Si4 C33 C35 65.14(10) . . . . no
Si2 Si4 C33 C36 -172.70(8) . . . . no
C32 Si4 C33 C34 56.34(10) . . . . no
C32 Si4 C33 C35 176.81(9) . . . . no
C32 Si4 C33 C36 -61.02(10) . . . . no
C37 Si4 C33 C34 170.76(8) . . . . no
C37 Si4 C33 C35 -68.77(11) . . . . no
C37 Si4 C33 C36 53.40(10) . . . . no
Si2 Si4 C37 C38 -80.83(10) . . . . no
Si2 Si4 C37 C39 158.13(9) . . . . no
Si2 Si4 C37 C40 40.85(9) . . . . no
C32 Si4 C37 C38 167.15(10) . . . . no
C32 Si4 C37 C39 46.11(11) . . . . no
C32 Si4 C37 C40 -71.17(10) . . . . no
C33 Si4 C37 C38 51.24(11) . . . . no
C33 Si4 C37 C39 -69.80(11) . . . . no
C33 Si4 C37 C40 172.92(8) . . . . no
C2 N2 C1 N1 -177.75(14) . . . . no
C4 N2 C1 N1 -13.9(2) . . . . no
C2 N2 C1 N3 0.55(15) . . . . no
C4 N2 C1 N3 164.37(12) . . . . no
C2 N2 C4 C7 -136.03(13) . . . . no
C1 N2 C2 C3 -0.27(17) . . . . no
C1 N2 C4 C5 -178.77(13) . . . . no
C2 N2 C4 C5 -17.19(18) . . . . no
C4 N2 C2 C3 -164.50(13) . . . . no
C1 N2 C4 C7 62.39(17) . . . . no
C1 N2 C4 C6 -59.42(18) . . . . no
C2 N2 C4 C6 102.16(15) . . . . no
C8 N3 C1 N1 11.4(2) . . . . no
C3 N3 C1 N1 177.65(14) . . . . no
C8 N3 C1 N2 -166.84(13) . . . . no
C8 N3 C3 C2 166.62(14) . . . . no
C3 N3 C1 N2 -0.62(15) . . . . no
C3 N3 C8 C11 126.62(15) . . . . no
C1 N3 C3 C2 0.48(17) . . . . no
C1 N3 C8 C9 172.18(14) . . . . no
C3 N3 C8 C9 8.1(2) . . . . no
C1 N3 C8 C10 53.24(18) . . . . no
C3 N3 C8 C10 -110.86(16) . . . . no
C1 N3 C8 C11 -69.27(18) . . . . no
C13 N5 C15 C17 -66.32(14) . . . . no
C13 N5 C12 N4 -177.97(13) . . . . no
C15 N5 C12 N4 16.8(2) . . . . no
C13 N5 C12 N6 0.32(13) . . . . no
C15 N5 C12 N6 -164.93(11) . . . . no
C13 N5 C15 C18 172.89(11) . . . . no
C12 N5 C13 C14 0.21(15) . . . . no
C12 N5 C15 C16 -143.81(13) . . . . no
C13 N5 C15 C16 52.09(15) . . . . no
C15 N5 C13 C14 167.59(12) . . . . no
C12 N5 C15 C18 -23.01(18) . . . . no
C12 N5 C15 C17 97.78(14) . . . . no
C19 N6 C12 N4 2.0(2) . . . . no
C14 N6 C12 N4 177.57(13) . . . . no
C14 N6 C12 N5 -0.72(13) . . . . no
C19 N6 C12 N5 -176.31(10) . . . . no
C19 N6 C14 C13 176.55(12) . . . . no
C12 N6 C19 C22 64.13(15) . . . . no
C14 N6 C19 C22 -110.85(14) . . . . no
C12 N6 C14 C13 0.88(15) . . . . no
C12 N6 C19 C20 -177.68(12) . . . . no
C14 N6 C19 C20 7.34(17) . . . . no
C12 N6 C19 C21 -59.77(16) . . . . no
C14 N6 C19 C21 125.26(13) . . . . no
N2 C2 C3 N3 -0.13(18) . . . . no
N5 C13 C14 N6 -0.66(16) . . . . no
