#------------------------------------------------------------------------------
#$Date: 2025-07-06 19:22:16 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300866 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/85/7718563.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_7718563
loop_
_publ_author_name
'Ziółkowska, Aleksandra'
'Błaszkiewicz, Wiktoria'
'Kruczyński, Tomasz'
_publ_section_title
;
 The effect of substituents on the P-P and PC bond properties in
 phosphanylphosphaalkenes.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8041
_journal_page_last               8044
_journal_paper_doi               10.1039/d5dt00692a
_journal_volume                  54
_journal_year                    2025
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C27 H52 Li N O3 P2 Si'
_chemical_formula_sum            'C27 H52 Li N O3 P2 Si'
_chemical_formula_weight         535.66
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2025-03-10T12:44:45-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2025-03-20 deposited with the CCDC.	2025-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 89.930(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.6328(7)
_cell_length_b                   18.6610(6)
_cell_length_c                   20.7350(10)
_cell_measurement_reflns_used    24307
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      29.71
_cell_measurement_theta_min      2.18
_cell_measurement_wavelength     0.71073
_cell_volume                     6435.8(5)
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      273(2)
_diffrn_detector                 Pilatus200K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 200K'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      ' 215 frames, detector distance = 40 mm'
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0704
_diffrn_reflns_av_unetI/netI     0.0891
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            30597
_diffrn_reflns_point_group_measured_fraction_full 0.946
_diffrn_reflns_point_group_measured_fraction_max 0.93
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27
_diffrn_reflns_theta_min         2.183
_diffrn_source                   'Mo Genix 3D HF'
_diffrn_source_current           0.830
_diffrn_source_power             0.050
_diffrn_source_voltage           60
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.198
_exptl_absorpt_correction_T_max  0.9985
_exptl_absorpt_correction_T_min  0.9979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.106
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2336
_exptl_crystal_size_max          0.104
_exptl_crystal_size_mid          0.094
_exptl_crystal_size_min          0.075
_refine_diff_density_max         0.372
_refine_diff_density_min         -0.35
_refine_diff_density_rms         0.077
_refine_ls_abs_structure_details
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.06(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     1214
_refine_ls_number_reflns         19705
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      0.984
_refine_ls_R_factor_all          0.0855
_refine_ls_R_factor_gt           0.0638
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0900P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1448
_refine_ls_wR_factor_ref         0.1567
_reflns_Friedel_coverage         0.816
_reflns_Friedel_fraction_full    0.891
_reflns_Friedel_fraction_max     0.863
_reflns_number_gt                15297
_reflns_number_total             19705
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt00692a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7718563--7718565.cif.'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7718563
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
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
C1 C 0.6458(3) 0.4362(2) 0.21104(18) 0.0240(16) Uani 1 1 d G . . . .
C2 C 0.6188(3) 0.39854(18) 0.2647(2) 0.0270(17) Uani 1 1 d G . . . .
H2 H 0.607411 0.349888 0.261381 0.032 Uiso 1 1 calc R U . . .
C3 C 0.6087(3) 0.4336(3) 0.32329(19) 0.0332(19) Uani 1 1 d G . . . .
H3 H 0.590645 0.408429 0.359184 0.04 Uiso 1 1 calc R U . . .
C4 C 0.6257(3) 0.5063(3) 0.32824(19) 0.035(2) Uani 1 1 d G . . . .
H4 H 0.619018 0.529804 0.367444 0.042 Uiso 1 1 calc R U . . .
C5 C 0.6528(3) 0.54398(18) 0.2746(2) 0.039(2) Uani 1 1 d G . . . .
H5 H 0.664157 0.592639 0.277902 0.046 Uiso 1 1 calc R U . . .
C6 C 0.6628(3) 0.5089(2) 0.2160(2) 0.0297(18) Uani 1 1 d G . . . .
H6 H 0.680924 0.534099 0.180098 0.036 Uiso 1 1 calc R U . . .
C7 C 0.5805(5) 0.4881(4) 0.0651(4) 0.0318(19) Uani 1 1 d . . . . .
H7 H 0.544784 0.476513 0.101272 0.038 Uiso 1 1 calc R U . . .
C8 C 0.5417(6) 0.4575(5) 0.0052(4) 0.049(2) Uani 1 1 d . . . . .
H8A H 0.574638 0.467733 -0.031699 0.073 Uiso 1 1 d R U . . .
H8B H 0.489728 0.478983 -0.000409 0.073 Uiso 1 1 d R U . . .
H8C H 0.535818 0.406603 0.009811 0.073 Uiso 1 1 d R U . . .
C9 C 0.5834(5) 0.5703(4) 0.0607(4) 0.040(2) Uani 1 1 d . . . . .
H9A H 0.605794 0.589486 0.099661 0.06 Uiso 1 1 d R U . . .
H9B H 0.529844 0.588386 0.054981 0.06 Uiso 1 1 d R U . . .
H9C H 0.616104 0.584426 0.024641 0.06 Uiso 1 1 d R U . . .
C10 C 0.7215(6) 0.4662(4) 0.0302(5) 0.046(3) Uani 1 1 d . . . . .
H10 H 0.701276 0.500497 -0.001721 0.055 Uiso 1 1 calc R U . . .
C11 C 0.7421(7) 0.3971(5) -0.0059(5) 0.064(3) Uani 1 1 d . . . . .
H11A H 0.769506 0.364667 0.022584 0.097 Uiso 1 1 d R U . . .
H11B H 0.776156 0.407927 -0.042006 0.097 Uiso 1 1 d R U . . .
H11C H 0.693397 0.375177 -0.020936 0.097 Uiso 1 1 d R U . . .
C12 C 0.7952(6) 0.5004(5) 0.0624(6) 0.062(3) Uani 1 1 d . . . . .
H12A H 0.812433 0.470674 0.097546 0.093 Uiso 1 1 d R U . . .
H12B H 0.781673 0.547154 0.078326 0.093 Uiso 1 1 d R U . . .
H12C H 0.837783 0.504344 0.031296 0.093 Uiso 1 1 d R U . . .
C13 C 0.7074(5) 0.1898(4) 0.1600(5) 0.044(2) Uani 1 1 d . . . . .
H13A H 0.686367 0.182607 0.202662 0.066 Uiso 1 1 d R U . . .
H13B H 0.745937 0.228067 0.160662 0.066 Uiso 1 1 d R U . . .
H13C H 0.732958 0.146597 0.145442 0.066 Uiso 1 1 d R U . . .
C14 C 0.6661(6) 0.2067(4) 0.0203(4) 0.044(2) Uani 1 1 d . . . . .
H14A H 0.684333 0.158604 0.012837 0.067 Uiso 1 1 d R U . . .
H14B H 0.710513 0.239234 0.015907 0.067 Uiso 1 1 d R U . . .
H14C H 0.625293 0.218704 -0.010503 0.067 Uiso 1 1 d R U . . .
C15 C 0.5455(5) 0.1410(4) 0.1095(4) 0.0334(19) Uani 1 1 d . . . . .
H15A H 0.571716 0.095241 0.111531 0.05 Uiso 1 1 d R U . . .
H15B H 0.511266 0.142691 0.072341 0.05 Uiso 1 1 d R U . . .
H15C H 0.513847 0.147971 0.147771 0.05 Uiso 1 1 d R U . . .
C16 C 0.3613(4) 0.2617(3) 0.0747(4) 0.0300(18) Uani 1 1 d D . . . .
H16A H 0.417531 0.251917 0.065918 0.036 Uiso 1 1 calc R U . . .
H16B H 0.338302 0.286562 0.037998 0.036 Uiso 1 1 calc R U . . .
C17 C 0.3165(5) 0.1938(3) 0.0882(5) 0.042(2) Uani 1 1 d D . . . .
H17A H 0.349158 0.160406 0.112646 0.05 Uiso 1 1 calc R U . . .
H17B H 0.298905 0.171011 0.048651 0.05 Uiso 1 1 calc R U . . .
C18 C 0.2453(4) 0.2206(4) 0.1278(4) 0.037(2) Uani 1 1 d D . . . .
H18A H 0.200928 0.233837 0.099963 0.044 Uiso 1 1 calc R U . . .
H18B H 0.227103 0.183899 0.157619 0.044 Uiso 1 1 calc R U . . .
C19 C 0.2761(6) 0.2845(5) 0.1636(5) 0.055(3) Uani 1 1 d D . . . .
H19A H 0.238345 0.323988 0.160727 0.066 Uiso 1 1 calc R U . . .
H19B H 0.284541 0.273039 0.208753 0.066 Uiso 1 1 calc R U . . .
C20 C 0.4573(6) 0.2433(4) 0.2876(4) 0.047(2) Uani 1 1 d D . . . .
H20A H 0.504297 0.234008 0.261209 0.056 Uiso 1 1 calc R U . . .
H20B H 0.419389 0.204248 0.282133 0.056 Uiso 1 1 calc R U . . .
C21 C 0.4802(6) 0.2513(5) 0.3569(4) 0.049(3) Uani 1 1 d D . . . .
H21A H 0.53232 0.274054 0.361299 0.058 Uiso 1 1 calc R U . . .
H21B H 0.481151 0.205293 0.378671 0.058 Uiso 1 1 calc R U . . .
C22 C 0.4127(5) 0.2995(4) 0.3835(4) 0.042(2) Uani 1 1 d D . . . .
H22A H 0.365169 0.271697 0.394171 0.05 Uiso 1 1 calc R U . . .
H22B H 0.430201 0.325485 0.42149 0.05 Uiso 1 1 calc R U . . .
C23 C 0.3970(5) 0.3492(4) 0.3284(3) 0.0305(18) Uani 1 1 d D . . . .
H23A H 0.340454 0.361748 0.326625 0.037 Uiso 1 1 calc R U . . .
H23B H 0.428176 0.392778 0.333157 0.037 Uiso 1 1 calc R U . . .
C24 C 0.4213(6) 0.5062(3) 0.2311(4) 0.038(2) Uani 1 1 d D . . . .
H24A H 0.473422 0.499843 0.251217 0.045 Uiso 1 1 calc R U . . .
H24B H 0.380561 0.509094 0.264487 0.045 Uiso 1 1 calc R U . . .
C25 C 0.4205(5) 0.5721(4) 0.1899(4) 0.037(2) Uani 1 1 d D . . . .
H25A H 0.473312 0.581233 0.17185 0.045 Uiso 1 1 calc R U . . .
H25B H 0.40372 0.613563 0.214724 0.045 Uiso 1 1 calc R U . . .
C26 C 0.3603(6) 0.5554(3) 0.1372(5) 0.044(2) Uani 1 1 d D . . . .
H26A H 0.309512 0.57927 0.14543 0.053 Uiso 1 1 calc R U . . .
H26B H 0.380526 0.570477 0.095489 0.053 Uiso 1 1 calc R U . . .
C27 C 0.3506(6) 0.4758(3) 0.1398(6) 0.064(4) Uani 1 1 d D . . . .
H27A H 0.295649 0.463527 0.150834 0.077 Uiso 1 1 calc R U . . .
H27B H 0.363013 0.454976 0.098031 0.077 Uiso 1 1 calc R U . . .
C28 C 0.1432(3) 0.4453(2) 0.29360(17) 0.0208(16) Uani 1 1 d G . . . .
C29 C 0.1535(3) 0.5190(2) 0.2885(2) 0.0296(18) Uani 1 1 d G . . . .
H29 H 0.166828 0.545789 0.32479 0.036 Uiso 1 1 calc R U . . .
C30 C 0.1437(3) 0.55269(17) 0.2293(2) 0.036(2) Uani 1 1 d G . . . .
H30 H 0.150544 0.602012 0.225872 0.043 Uiso 1 1 calc R U . . .
C31 C 0.1237(3) 0.5127(2) 0.17507(18) 0.033(2) Uani 1 1 d G . . . .
H31 H 0.11721 0.535202 0.135414 0.04 Uiso 1 1 calc R U . . .
C32 C 0.1135(3) 0.4390(2) 0.18013(18) 0.0281(18) Uani 1 1 d G . . . .
H32 H 0.100159 0.412169 0.143874 0.034 Uiso 1 1 calc R U . . .
C33 C 0.1233(3) 0.40526(17) 0.2394(2) 0.0256(17) Uani 1 1 d G . . . .
H33 H 0.116443 0.355944 0.242791 0.031 Uiso 1 1 calc R U . . .
C34 C 0.0701(4) 0.4987(4) 0.4374(4) 0.0244(16) Uani 1 1 d . . . . .
H34 H 0.036177 0.487621 0.40011 0.029 Uiso 1 1 calc R U . . .
C35 C 0.0282(5) 0.4691(4) 0.4967(4) 0.0336(19) Uani 1 1 d . . . . .
H35A H 0.025687 0.417786 0.493626 0.05 Uiso 1 1 d R U . . .
H35B H -0.025333 0.488146 0.499296 0.05 Uiso 1 1 d R U . . .
H35C H 0.057647 0.482306 0.534676 0.05 Uiso 1 1 d R U . . .
C36 C 0.0761(5) 0.5810(4) 0.4421(5) 0.037(2) Uani 1 1 d . . . . .
H36A H 0.112619 0.593672 0.476039 0.056 Uiso 1 1 d R U . . .
H36B H 0.023929 0.600571 0.451289 0.056 Uiso 1 1 d R U . . .
H36C H 0.095409 0.599882 0.401929 0.056 Uiso 1 1 d R U . . .
C37 C 0.2104(5) 0.4731(4) 0.4763(4) 0.0308(19) Uani 1 1 d . . . . .
H37 H 0.190897 0.509703 0.506418 0.037 Uiso 1 1 calc R U . . .
C38 C 0.2211(6) 0.4044(5) 0.5147(4) 0.041(2) Uani 1 1 d . . . . .
H38A H 0.169584 0.387321 0.528903 0.062 Uiso 1 1 d R U . . .
H38B H 0.254414 0.413831 0.551544 0.062 Uiso 1 1 d R U . . .
H38C H 0.246224 0.368631 0.488164 0.062 Uiso 1 1 d R U . . .
C39 C 0.2904(5) 0.4995(5) 0.4499(5) 0.048(3) Uani 1 1 d . . . . .
H39A H 0.310103 0.46688 0.417789 0.071 Uiso 1 1 d R U . . .
H39B H 0.328663 0.50291 0.484431 0.071 Uiso 1 1 d R U . . .
H39C H 0.282853 0.54597 0.43095 0.071 Uiso 1 1 d R U . . .
C40 C 0.1985(5) 0.2084(4) 0.3140(4) 0.0328(19) Uani 1 1 d . . . . .
H40A H 0.215716 0.159326 0.313544 0.049 Uiso 1 1 d R U . . .
H40B H 0.244426 0.239146 0.318524 0.049 Uiso 1 1 d R U . . .
H40C H 0.171236 0.219276 0.274444 0.049 Uiso 1 1 d R U . . .
C41 C 0.0529(4) 0.1469(4) 0.3838(4) 0.0297(18) Uani 1 1 d . . . . .
H41A H 0.081129 0.102237 0.380015 0.045 Uiso 1 1 d R U . . .
H41B H 0.016809 0.152227 0.347985 0.045 Uiso 1 1 d R U . . .
H41C H 0.022769 0.147457 0.423305 0.045 Uiso 1 1 d R U . . .
C42 C 0.1913(5) 0.2116(4) 0.4582(4) 0.0333(19) Uani 1 1 d . . . . .
H42A H 0.158365 0.216364 0.49603 0.05 Uiso 1 1 d R U . . .
H42B H 0.232475 0.247664 0.45869 0.05 Uiso 1 1 d R U . . .
H42C H 0.215785 0.164994 0.45779 0.05 Uiso 1 1 d R U . . .
C43 C -0.0112(6) 0.2413(4) 0.1953(4) 0.046(2) Uani 1 1 d D . . . .
H43A H -0.04492 0.199671 0.202641 0.055 Uiso 1 1 calc R U . . .
H43B H 0.037446 0.236368 0.22073 0.055 Uiso 1 1 calc R U . . .
C44 C 0.0086(6) 0.2488(5) 0.1254(4) 0.062(3) Uani 1 1 d D . . . .
H44A H 0.056732 0.277284 0.119031 0.074 Uiso 1 1 calc R U . . .
H44B H 0.015857 0.202351 0.105143 0.074 Uiso 1 1 calc R U . . .
C45 C -0.0636(6) 0.2859(5) 0.0999(4) 0.053(3) Uani 1 1 d D . . . .
H45A H -0.107241 0.25248 0.092304 0.063 Uiso 1 1 calc R U . . .
H45B H -0.051594 0.311172 0.060145 0.063 Uiso 1 1 calc R U . . .
C46 C -0.0839(5) 0.3371(4) 0.1531(4) 0.039(2) Uani 1 1 d D . . . .
H46A H -0.059152 0.383336 0.145107 0.047 Uiso 1 1 calc R U . . .
H46B H -0.141698 0.34371 0.155805 0.047 Uiso 1 1 calc R U . . .
C47 C -0.2119(4) 0.2775(4) 0.3044(4) 0.0306(18) Uani 1 1 d D . . . .
H47A H -0.204213 0.241718 0.270984 0.037 Uiso 1 1 calc R U . . .
H47B H -0.229317 0.321749 0.284315 0.037 Uiso 1 1 calc R U . . .
C48 C -0.2731(4) 0.2524(4) 0.3523(3) 0.0318(19) Uani 1 1 d D . . . .
H48A H -0.311917 0.220583 0.332371 0.038 Uiso 1 1 calc R U . . .
H48B H -0.301205 0.292496 0.371719 0.038 Uiso 1 1 calc R U . . .
C49 C -0.2225(3) 0.2131(4) 0.4015(4) 0.0284(17) Uani 1 1 d D . . . .
H49A H -0.247384 0.214232 0.443848 0.034 Uiso 1 1 calc R U . . .
H49B H -0.213744 0.163639 0.388933 0.034 Uiso 1 1 calc R U . . .
C50 C -0.1455(4) 0.2547(4) 0.4008(4) 0.0334(19) Uani 1 1 d D . . . .
H50A H -0.145934 0.290443 0.434695 0.04 Uiso 1 1 calc R U . . .
H50B H -0.100316 0.222812 0.407846 0.04 Uiso 1 1 calc R U . . .
C51 C -0.1441(6) 0.4604(3) 0.3523(5) 0.041(2) Uani 1 1 d D . . . .
H51A H -0.125144 0.438392 0.391832 0.049 Uiso 1 1 calc R U . . .
H51B H -0.199193 0.445496 0.345061 0.049 Uiso 1 1 calc R U . . .
C52 C -0.1396(5) 0.5403(3) 0.3576(5) 0.042(2) Uani 1 1 d D . . . .
H52A H -0.114311 0.554418 0.39772 0.05 Uiso 1 1 calc R U . . .
H52B H -0.19287 0.561347 0.355571 0.05 Uiso 1 1 calc R U . . .
C53 C -0.0886(7) 0.5636(4) 0.2996(5) 0.053(3) Uani 1 1 d D . . . .
H53A H -0.113522 0.603605 0.277371 0.063 Uiso 1 1 calc R U . . .
H53B H -0.035134 0.577657 0.31322 0.063 Uiso 1 1 calc R U . . .
C54 C -0.0850(6) 0.4992(4) 0.2568(4) 0.040(2) Uani 1 1 d D . . . .
H54A H -0.127886 0.500478 0.225189 0.048 Uiso 1 1 calc R U . . .
H54B H -0.033852 0.49703 0.234415 0.048 Uiso 1 1 calc R U . . .
C55 C 0.6489(3) 0.4405(2) 0.71480(17) 0.0192(15) Uani 1 1 d G . . . .
C56 C 0.6262(3) 0.40491(16) 0.7708(2) 0.0219(16) Uani 1 1 d G . . . .
H56 H 0.61633 0.355858 0.769888 0.026 Uiso 1 1 calc R U . . .
C57 C 0.6181(3) 0.4427(2) 0.82826(17) 0.0298(18) Uani 1 1 d G . . . .
H57 H 0.602835 0.41887 0.865743 0.036 Uiso 1 1 calc R U . . .
C58 C 0.6328(3) 0.5160(2) 0.82967(18) 0.0323(19) Uani 1 1 d G . . . .
H58 H 0.627344 0.541231 0.868091 0.039 Uiso 1 1 calc R U . . .
C59 C 0.6555(3) 0.55153(16) 0.7736(2) 0.0297(18) Uani 1 1 d G . . . .
H59 H 0.665349 0.60058 0.774584 0.036 Uiso 1 1 calc R U . . .
C60 C 0.6636(3) 0.5138(2) 0.71621(18) 0.0233(16) Uani 1 1 d G . . . .
H60 H 0.678844 0.537568 0.678728 0.028 Uiso 1 1 calc R U . . .
C61 C 0.5672(5) 0.4797(4) 0.5708(4) 0.0314(19) Uani 1 1 d . . . . .
H61 H 0.535873 0.469857 0.609839 0.038 Uiso 1 1 calc R U . . .
C62 C 0.5246(5) 0.4428(5) 0.5150(4) 0.043(2) Uani 1 1 d . . . . .
H62A H 0.553495 0.452324 0.47581 0.064 Uiso 1 1 d R U . . .
H62B H 0.470823 0.460964 0.51136 0.064 Uiso 1 1 d R U . . .
H62C H 0.522843 0.391984 0.522348 0.064 Uiso 1 1 d R U . . .
C63 C 0.5657(6) 0.5614(4) 0.5600(4) 0.041(2) Uani 1 1 d . . . . .
H63A H 0.593782 0.584705 0.594607 0.061 Uiso 1 1 d R U . . .
H63B H 0.511082 0.577855 0.558957 0.061 Uiso 1 1 d R U . . .
H63C H 0.591572 0.572465 0.519837 0.061 Uiso 1 1 d R U . . .
C64 C 0.7072(5) 0.4615(4) 0.5286(4) 0.0306(19) Uani 1 1 d . . . . .
H64 H 0.683615 0.495114 0.49765 0.037 Uiso 1 1 calc R U . . .
C65 C 0.7231(6) 0.3921(5) 0.4920(5) 0.049(3) Uani 1 1 d . . . . .
H65A H 0.748758 0.358371 0.520286 0.074 Uiso 1 1 d R U . . .
H65B H 0.757608 0.40161 0.455847 0.074 Uiso 1 1 d R U . . .
H65C H 0.673178 0.37254 0.477017 0.074 Uiso 1 1 d R U . . .
C66 C 0.7846(5) 0.4958(5) 0.5528(5) 0.045(3) Uani 1 1 d . . . . .
H66A H 0.772316 0.541529 0.571552 0.068 Uiso 1 1 d R U . . .
H66B H 0.821086 0.502159 0.517382 0.068 Uiso 1 1 d R U . . .
H66C H 0.808897 0.465499 0.584712 0.068 Uiso 1 1 d R U . . .
C67 C 0.7239(4) 0.2036(4) 0.5954(4) 0.0322(19) Uani 1 1 d . . . . .
H67A H 0.741083 0.176394 0.558629 0.048 Uiso 1 1 d R U . . .
H67B H 0.736693 0.177804 0.634149 0.048 Uiso 1 1 d R U . . .
H67C H 0.750833 0.249064 0.595739 0.048 Uiso 1 1 d R U . . .
C68 C 0.5853(4) 0.2190(4) 0.5038(3) 0.0303(17) Uani 1 1 d . . . . .
H68A H 0.600212 0.174085 0.484668 0.045 Uiso 1 1 d R U . . .
H68B H 0.613632 0.257205 0.482658 0.045 Uiso 1 1 d R U . . .
H68C H 0.528472 0.226155 0.499158 0.045 Uiso 1 1 d R U . . .
C69 C 0.5595(5) 0.1378(4) 0.6267(4) 0.036(2) Uani 1 1 d . . . . .
H69A H 0.503514 0.148309 0.632576 0.054 Uiso 1 1 d R U . . .
H69B H 0.583214 0.126019 0.667527 0.054 Uiso 1 1 d R U . . .
H69C H 0.565264 0.097949 0.597757 0.054 Uiso 1 1 d R U . . .
C70 C 0.3650(4) 0.2669(3) 0.5857(4) 0.0302(18) Uani 1 1 d D . . . .
H70A H 0.421811 0.259081 0.577537 0.036 Uiso 1 1 calc R U . . .
H70B H 0.341205 0.289716 0.548247 0.036 Uiso 1 1 calc R U . . .
C71 C 0.3233(5) 0.1980(3) 0.6011(4) 0.038(2) Uani 1 1 d D . . . .
H71A H 0.357563 0.166717 0.626455 0.046 Uiso 1 1 calc R U . . .
H71B H 0.307172 0.173147 0.562154 0.046 Uiso 1 1 calc R U . . .
C72 C 0.2505(4) 0.2222(5) 0.6399(4) 0.041(2) Uani 1 1 d . . . . .
H72A H 0.204622 0.230007 0.611886 0.049 Uiso 1 1 calc R U . . .
H72B H 0.236236 0.186756 0.672134 0.049 Uiso 1 1 calc R U . . .
C73 C 0.2760(5) 0.2904(5) 0.6709(5) 0.051(3) Uani 1 1 d . . . . .
H73A H 0.236688 0.32773 0.662733 0.062 Uiso 1 1 calc R U . . .
H73B H 0.280879 0.284022 0.717135 0.062 Uiso 1 1 calc R U . . .
C74 C 0.4650(6) 0.2427(4) 0.8015(4) 0.044(2) Uani 1 1 d . . . . .
H74A H 0.510985 0.233885 0.773774 0.053 Uiso 1 1 calc R U . . .
H74B H 0.428481 0.202304 0.798376 0.053 Uiso 1 1 calc R U . . .
C75 C 0.4909(5) 0.2539(5) 0.8693(5) 0.044(2) Uani 1 1 d . . . . .
H75A H 0.540604 0.281005 0.871478 0.052 Uiso 1 1 calc R U . . .
H75B H 0.497766 0.208692 0.891722 0.052 Uiso 1 1 calc R U . . .
C76 C 0.4200(6) 0.2967(5) 0.8966(4) 0.043(2) Uani 1 1 d . . . . .
H76A H 0.37498 0.265678 0.907049 0.052 Uiso 1 1 calc R U . . .
H76B H 0.435413 0.32335 0.934832 0.052 Uiso 1 1 calc R U . . .
C77 C 0.4002(5) 0.3459(4) 0.8418(4) 0.0325(19) Uani 1 1 d . . . . .
H77A H 0.342967 0.355888 0.840844 0.039 Uiso 1 1 calc R U . . .
H77B H 0.429011 0.390782 0.846124 0.039 Uiso 1 1 calc R U . . .
C78 C 0.4284(5) 0.5057(3) 0.7482(4) 0.0323(19) Uani 1 1 d D . . . .
H78A H 0.481662 0.496567 0.76541 0.039 Uiso 1 1 calc R U . . .
H78B H 0.390827 0.509564 0.783878 0.039 Uiso 1 1 calc R U . . .
C79 C 0.4281(5) 0.5729(3) 0.7088(4) 0.034(2) Uani 1 1 d D . . . .
H79A H 0.478058 0.578509 0.685152 0.041 Uiso 1 1 calc R U . . .
H79B H 0.41944 0.614819 0.73559 0.041 Uiso 1 1 calc R U . . .
C80 C 0.3582(5) 0.5604(3) 0.6638(5) 0.044(2) Uani 1 1 d D . . . .
H80A H 0.309536 0.58197 0.68086 0.052 Uiso 1 1 calc R U . . .
H80B H 0.36912 0.580612 0.621617 0.052 Uiso 1 1 calc R U . . .
C81 C 0.3497(6) 0.4807(3) 0.6598(5) 0.054(3) Uani 1 1 d D . . . .
H81A H 0.295079 0.466553 0.670164 0.065 Uiso 1 1 calc R U . . .
H81B H 0.362228 0.464203 0.616599 0.065 Uiso 1 1 calc R U . . .
C82 C 0.1396(3) 0.4502(2) 0.78984(18) 0.0208(16) Uani 1 1 d G . . . .
C83 C 0.1534(3) 0.5237(2) 0.78958(18) 0.0295(18) Uani 1 1 d G . . . .
H83 H 0.167128 0.547074 0.827615 0.035 Uiso 1 1 calc R U . . .
C84 C 0.1466(3) 0.56224(17) 0.7325(2) 0.0322(19) Uani 1 1 d G . . . .
H84 H 0.155831 0.611396 0.732307 0.039 Uiso 1 1 calc R U . . .
C85 C 0.1260(3) 0.5273(2) 0.67563(18) 0.0310(19) Uani 1 1 d G . . . .
H85 H 0.121514 0.553101 0.637427 0.037 Uiso 1 1 calc R U . . .
C86 C 0.1122(3) 0.4539(2) 0.67589(18) 0.0281(17) Uani 1 1 d G . . . .
H86 H 0.098493 0.430484 0.637854 0.034 Uiso 1 1 calc R U . . .
C87 C 0.1190(3) 0.41531(17) 0.7330(2) 0.0237(16) Uani 1 1 d G . . . .
H87 H 0.109789 0.36616 0.733162 0.028 Uiso 1 1 calc R U . . .
C88 C 0.0635(5) 0.4910(4) 0.9390(4) 0.0325(19) Uani 1 1 d . . . . .
H88 H 0.028463 0.482175 0.901916 0.039 Uiso 1 1 calc R U . . .
C89 C 0.0236(6) 0.4558(5) 0.9974(5) 0.045(2) Uani 1 1 d . . . . .
H89A H 0.018477 0.405211 0.989921 0.068 Uiso 1 1 d R U . . .
H89B H -0.028813 0.476302 1.003511 0.068 Uiso 1 1 d R U . . .
H89C H 0.055497 0.463731 1.035281 0.068 Uiso 1 1 d R U . . .
C90 C 0.0680(6) 0.5722(4) 0.9479(5) 0.043(2) Uani 1 1 d . . . . .
H90A H 0.107143 0.583615 0.980267 0.064 Uiso 1 1 d R U . . .
H90B H 0.016243 0.589604 0.961128 0.064 Uiso 1 1 d R U . . .
H90C H 0.082983 0.594295 0.907848 0.064 Uiso 1 1 d R U . . .
C91 C 0.2040(5) 0.4638(4) 0.9731(4) 0.0323(19) Uani 1 1 d . . . . .
H91 H 0.184535 0.4977 1.005665 0.039 Uiso 1 1 calc R U . . .
C92 C 0.2170(6) 0.3912(5) 1.0076(5) 0.051(3) Uani 1 1 d . . . . .
H92A H 0.166307 0.372923 1.022452 0.076 Uiso 1 1 d R U . . .
H92B H 0.252207 0.398033 1.043762 0.076 Uiso 1 1 d R U . . .
H92C H 0.240787 0.357583 0.978152 0.076 Uiso 1 1 d R U . . .
C93 C 0.2825(5) 0.4932(5) 0.9474(5) 0.043(2) Uani 1 1 d . . . . .
H93A H 0.300589 0.46358 0.912372 0.065 Uiso 1 1 d R U . . .
H93B H 0.322049 0.49299 0.981042 0.065 Uiso 1 1 d R U . . .
H93C H 0.274799 0.54132 0.932232 0.065 Uiso 1 1 d R U . . .
C94 C 0.1465(6) 0.2069(5) 0.9656(4) 0.053(3) Uani 1 1 d . . . . .
H94A H 0.168475 0.159438 0.968654 0.079 Uiso 1 1 d R U . . .
H94B H 0.103095 0.211918 0.995844 0.079 Uiso 1 1 d R U . . .
H94C H 0.187595 0.241368 0.975264 0.079 Uiso 1 1 d R U . . .
C95 C 0.1955(5) 0.2033(5) 0.8264(5) 0.042(2) Uani 1 1 d . . . . .
H95A H 0.213807 0.155043 0.832936 0.063 Uiso 1 1 d R U . . .
H95B H 0.238387 0.236083 0.835806 0.063 Uiso 1 1 d R U . . .
H95C H 0.178947 0.209213 0.782394 0.063 Uiso 1 1 d R U . . .
C96 C 0.0311(5) 0.1502(4) 0.8665(4) 0.038(2) Uani 1 1 d . . . . .
H96A H 0.013035 0.152988 0.822576 0.057 Uiso 1 1 d R U . . .
H96B H -0.013785 0.156858 0.894996 0.057 Uiso 1 1 d R U . . .
H96C H 0.054795 0.104098 0.874086 0.057 Uiso 1 1 d R U . . .
C97 C 0.0097(5) 0.2506(4) 0.6689(3) 0.039(2) Uani 1 1 d D . . . .
H97A H -0.0195 0.206737 0.677843 0.047 Uiso 1 1 calc R U . . .
H97B H 0.059993 0.249749 0.692615 0.047 Uiso 1 1 calc R U . . .
C98 C 0.0251(5) 0.2583(4) 0.5982(3) 0.041(2) Uani 1 1 d D . . . .
H98A H 0.034997 0.212235 0.577998 0.05 Uiso 1 1 calc R U . . .
H98B H 0.070077 0.289983 0.589691 0.05 Uiso 1 1 calc R U . . .
C99 C -0.0535(5) 0.2907(4) 0.5755(4) 0.039(2) Uani 1 1 d D . . . .
H99A H -0.04676 0.3157 0.534811 0.047 Uiso 1 1 calc R U . . .
H99B H -0.094755 0.254352 0.570706 0.047 Uiso 1 1 calc R U . . .
C100 C -0.0734(5) 0.3416(4) 0.6289(3) 0.0299(18) Uani 1 1 d D . . . .
H10A H -0.05166 0.38874 0.619712 0.036 Uiso 1 1 calc R U . . .
H10B H -0.131218 0.345691 0.633929 0.036 Uiso 1 1 calc R U . . .
C101 C -0.2017(4) 0.2636(4) 0.7508(4) 0.0312(18) Uani 1 1 d D . . . .
H10C H -0.18175 0.234557 0.715405 0.037 Uiso 1 1 calc R U . . .
H10D H -0.217014 0.310187 0.734073 0.037 Uiso 1 1 calc R U . . .
C102 C -0.2718(4) 0.2279(4) 0.7827(3) 0.0315(18) Uani 1 1 d D . . . .
H10E H -0.268762 0.176255 0.778398 0.038 Uiso 1 1 calc R U . . .
H10F H -0.32223 0.244573 0.764656 0.038 Uiso 1 1 calc R U . . .
C103 C -0.2632(4) 0.2506(4) 0.8523(4) 0.0320(19) Uani 1 1 d D . . . .
H10G H -0.285253 0.298142 0.859263 0.038 Uiso 1 1 calc R U . . .
H10H H -0.28971 0.217058 0.881027 0.038 Uiso 1 1 calc R U . . .
C104 C -0.1741(4) 0.2500(4) 0.8620(4) 0.0310(18) Uani 1 1 d D . . . .
H10I H -0.15849 0.283748 0.895335 0.037 Uiso 1 1 calc R U . . .
H10J H -0.155591 0.202558 0.874088 0.037 Uiso 1 1 calc R U . . .
C105 C -0.1449(5) 0.4482(3) 0.8380(4) 0.037(2) Uani 1 1 d D . . . .
H10K H -0.120649 0.423109 0.874042 0.044 Uiso 1 1 calc R U . . .
H10L H -0.201049 0.4344 0.835333 0.044 Uiso 1 1 calc R U . . .
C106 C -0.1379(5) 0.5275(3) 0.8473(5) 0.041(2) Uani 1 1 d D . . . .
H10M H -0.113135 0.538482 0.888493 0.049 Uiso 1 1 calc R U . . .
H10N H -0.19034 0.550152 0.845595 0.049 Uiso 1 1 calc R U . . .
C107 C -0.0844(6) 0.5531(4) 0.7911(4) 0.046(2) Uani 1 1 d D . . . .
H10O H -0.102091 0.599226 0.774841 0.055 Uiso 1 1 calc R U . . .
H10P H -0.028542 0.55658 0.804081 0.055 Uiso 1 1 calc R U . . .
C108 C -0.0960(5) 0.4954(4) 0.7419(4) 0.035(2) Uani 1 1 d D . . . .
H10Q H -0.144003 0.504139 0.716524 0.042 Uiso 1 1 calc R U . . .
H10R H -0.050075 0.492627 0.713109 0.042 Uiso 1 1 calc R U . . .
Li1 Li 0.4354(8) 0.3482(6) 0.1832(7) 0.029(3) Uani 1 1 d . . . . .
Li2 Li -0.0515(8) 0.3420(7) 0.3009(7) 0.032(3) Uani 1 1 d . . . . .
Li3 Li 0.4381(8) 0.3501(7) 0.6957(7) 0.032(3) Uani 1 1 d . . . . .
Li4 Li -0.0530(8) 0.3368(7) 0.7769(7) 0.033(3) Uani 1 1 d . . . . .
N1 N 0.6570(4) 0.4563(3) 0.0794(3) 0.0283(15) Uani 1 1 d . . . . .
N2 N 0.1506(3) 0.4674(3) 0.4247(3) 0.0221(14) Uani 1 1 d . . . . .
N3 N 0.6480(4) 0.4536(3) 0.5821(3) 0.0221(13) Uani 1 1 d . . . . .
N4 N 0.1437(4) 0.4610(3) 0.9225(3) 0.0249(14) Uani 1 1 d . . . . .
O1 O 0.3524(3) 0.3030(3) 0.1323(3) 0.0301(13) Uani 1 1 d . . . . .
O2 O 0.4207(4) 0.3112(3) 0.2704(3) 0.0382(14) Uani 1 1 d . . . . .
O3 O 0.4045(3) 0.4486(3) 0.1875(3) 0.0304(13) Uani 1 1 d . . . . .
O4 O -0.0536(3) 0.3065(3) 0.2124(3) 0.0321(13) Uani 1 1 d . . . . .
O5 O -0.1386(3) 0.2886(3) 0.3390(3) 0.0329(14) Uani 1 1 d . . . . .
O6 O -0.0943(3) 0.4390(3) 0.2990(3) 0.0321(13) Uani 1 1 d . . . . .
O7 O 0.3530(3) 0.3099(3) 0.6432(3) 0.0297(13) Uani 1 1 d . . . . .
O8 O 0.4249(3) 0.3086(3) 0.7834(3) 0.0323(13) Uani 1 1 d . . . . .
O9 O 0.4050(3) 0.4502(3) 0.7055(3) 0.0267(12) Uani 1 1 d . . . . .
O10 O -0.0376(3) 0.3126(3) 0.6868(2) 0.0280(12) Uani 1 1 d . . . . .
O11 O -0.1413(3) 0.2710(3) 0.7998(3) 0.0306(13) Uani 1 1 d . . . . .
O12 O -0.1039(3) 0.4307(3) 0.7792(3) 0.0333(13) Uani 1 1 d . . . . .
P1 P 0.56455(12) 0.31626(11) 0.12637(12) 0.0326(5) Uani 1 1 d . . . . .
P2 P 0.66733(11) 0.38690(11) 0.13417(11) 0.0265(5) Uani 1 1 d . . . . .
P3 P 0.06045(11) 0.32505(10) 0.38091(10) 0.0220(4) Uani 1 1 d . . . . .
P4 P 0.16247(11) 0.39732(10) 0.37133(10) 0.0201(4) Uani 1 1 d . . . . .
P5 P 0.57020(12) 0.31174(10) 0.64706(10) 0.0234(4) Uani 1 1 d . . . . .
P6 P 0.66740(11) 0.38827(10) 0.63865(9) 0.0194(4) Uani 1 1 d . . . . .
P7 P 0.04905(11) 0.32615(11) 0.86609(10) 0.0259(5) Uani 1 1 d . . . . .
P8 P 0.15410(11) 0.39527(10) 0.86471(10) 0.0215(4) Uani 1 1 d . . . . .
Si1 Si 0.62354(12) 0.21398(11) 0.10385(10) 0.0234(5) Uani 1 1 d . . . . .
Si2 Si 0.12768(11) 0.22328(10) 0.38410(10) 0.0208(4) Uani 1 1 d . . . . .
Si3 Si 0.61204(11) 0.21828(11) 0.59148(10) 0.0214(4) Uani 1 1 d . . . . .
Si4 Si 0.10800(12) 0.22205(11) 0.88138(10) 0.0245(4) Uani 1 1 d . . . . .
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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_3
_geom_angle_publ_flag
C2 C1 C6 120 . . ?
C2 C1 P2 119.6(3) . . ?
C6 C1 P2 120.2(3) . . ?
C1 C2 C3 120 . . ?
C1 C2 H2 120 . . ?
C3 C2 H2 120 . . ?
C2 C3 C4 120 . . ?
C2 C3 H3 120 . . ?
C4 C3 H3 120 . . ?
C3 C4 C5 120 . . ?
C3 C4 H4 120 . . ?
C5 C4 H4 120 . . ?
C6 C5 C4 120 . . ?
C6 C5 H5 120 . . ?
C4 C5 H5 120 . . ?
C5 C6 C1 120 . . ?
C5 C6 H6 120 . . ?
C1 C6 H6 120 . . ?
N1 C7 C8 113.1(7) . . ?
N1 C7 C9 113.4(7) . . ?
C8 C7 C9 110.0(7) . . ?
N1 C7 H7 106.6 . . ?
C8 C7 H7 106.6 . . ?
C9 C7 H7 106.6 . . ?
C7 C8 H8A 109.7 . . ?
C7 C8 H8B 109.1 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.7 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.2 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.8 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 C11 113.0(7) . . ?
N1 C10 C12 109.2(8) . . ?
C11 C10 C12 112.5(8) . . ?
N1 C10 H10 107.3 . . ?
C11 C10 H10 107.3 . . ?
C12 C10 H10 107.3 . . ?
C10 C11 H11A 109.7 . . ?
C10 C11 H11B 109.6 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.2 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.3 . . ?
C10 C12 H12B 109.9 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.2 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.6 . . ?
Si1 C13 H13B 109.1 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.7 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.6 . . ?
Si1 C14 H14B 109.4 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.4 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.6 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.3 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O1 C16 C17 104.4(6) . . ?
O1 C16 H16A 110.9 . . ?
C17 C16 H16A 110.9 . . ?
O1 C16 H16B 110.9 . . ?
C17 C16 H16B 110.9 . . ?
H16A C16 H16B 108.9 . . ?
C16 C17 C18 102.1(6) . . ?
C16 C17 H17A 111.3 . . ?
C18 C17 H17A 111.3 . . ?
C16 C17 H17B 111.3 . . ?
C18 C17 H17B 111.3 . . ?
H17A C17 H17B 109.2 . . ?
C19 C18 C17 105.2(6) . . ?
C19 C18 H18A 110.7 . . ?
C17 C18 H18A 110.7 . . ?
C19 C18 H18B 110.7 . . ?
C17 C18 H18B 110.7 . . ?
H18A C18 H18B 108.8 . . ?
O1 C19 C18 105.3(6) . . ?
O1 C19 H19A 110.7 . . ?
C18 C19 H19A 110.7 . . ?
O1 C19 H19B 110.7 . . ?
C18 C19 H19B 110.7 . . ?
H19A C19 H19B 108.8 . . ?
O2 C20 C21 104.9(7) . . ?
O2 C20 H20A 110.8 . . ?
C21 C20 H20A 110.8 . . ?
O2 C20 H20B 110.8 . . ?
C21 C20 H20B 110.8 . . ?
H20A C20 H20B 108.8 . . ?
C20 C21 C22 102.5(7) . . ?
C20 C21 H21A 111.3 . . ?
C22 C21 H21A 111.3 . . ?
C20 C21 H21B 111.3 . . ?
C22 C21 H21B 111.3 . . ?
H21A C21 H21B 109.2 . . ?
C23 C22 C21 102.5(6) . . ?
C23 C22 H22A 111.3 . . ?
C21 C22 H22A 111.3 . . ?
C23 C22 H22B 111.3 . . ?
C21 C22 H22B 111.3 . . ?
H22A C22 H22B 109.2 . . ?
O2 C23 C22 106.5(6) . . ?
O2 C23 H23A 110.4 . . ?
C22 C23 H23A 110.4 . . ?
O2 C23 H23B 110.4 . . ?
C22 C23 H23B 110.4 . . ?
H23A C23 H23B 108.6 . . ?
O3 C24 C25 104.8(6) . . ?
O3 C24 H24A 110.8 . . ?
C25 C24 H24A 110.8 . . ?
O3 C24 H24B 110.8 . . ?
C25 C24 H24B 110.8 . . ?
H24A C24 H24B 108.9 . . ?
C24 C25 C26 104.4(6) . . ?
C24 C25 H25A 110.9 . . ?
C26 C25 H25A 110.9 . . ?
C24 C25 H25B 110.9 . . ?
C26 C25 H25B 110.9 . . ?
H25A C25 H25B 108.9 . . ?
C27 C26 C25 104.5(7) . . ?
C27 C26 H26A 110.9 . . ?
C25 C26 H26A 110.9 . . ?
C27 C26 H26B 110.9 . . ?
C25 C26 H26B 110.9 . . ?
H26A C26 H26B 108.9 . . ?
O3 C27 C26 108.0(7) . . ?
O3 C27 H27A 110.1 . . ?
C26 C27 H27A 110.1 . . ?
O3 C27 H27B 110.1 . . ?
C26 C27 H27B 110.1 . . ?
H27A C27 H27B 108.4 . . ?
C29 C28 C33 120 . . ?
C29 C28 P4 121.2(3) . . ?
C33 C28 P4 118.7(3) . . ?
C30 C29 C28 120 . . ?
C30 C29 H29 120 . . ?
C28 C29 H29 120 . . ?
C31 C30 C29 120 . . ?
C31 C30 H30 120 . . ?
C29 C30 H30 120 . . ?
C30 C31 C32 120 . . ?
C30 C31 H31 120 . . ?
C32 C31 H31 120 . . ?
C31 C32 C33 120 . . ?
C31 C32 H32 120 . . ?
C33 C32 H32 120 . . ?
C32 C33 C28 120 . . ?
C32 C33 H33 120 . . ?
C28 C33 H33 120 . . ?
N2 C34 C35 114.5(6) . . ?
N2 C34 C36 110.2(6) . . ?
C35 C34 C36 109.9(7) . . ?
N2 C34 H34 107.3 . . ?
C35 C34 H34 107.3 . . ?
C36 C34 H34 107.3 . . ?
C34 C35 H35A 109.2 . . ?
C34 C35 H35B 109.6 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.6 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.4 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N2 C37 C39 110.8(7) . . ?
N2 C37 C38 113.6(6) . . ?
C39 C37 C38 111.0(7) . . ?
N2 C37 H37 107 . . ?
C39 C37 H37 107 . . ?
C38 C37 H37 107 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.2 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.7 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 110 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 108.9 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si2 C40 H40A 109.5 . . ?
Si2 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si2 C40 H40C 109.4 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si2 C41 H41A 109.4 . . ?
Si2 C41 H41B 109.7 . . ?
H41A C41 H41B 109.5 . . ?
Si2 C41 H41C 109.3 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si2 C42 H42A 109.6 . . ?
Si2 C42 H42B 109.2 . . ?
H42A C42 H42B 109.5 . . ?
Si2 C42 H42C 109.6 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O4 C43 C44 105.4(7) . . ?
O4 C43 H43A 110.7 . . ?
C44 C43 H43A 110.7 . . ?
O4 C43 H43B 110.7 . . ?
C44 C43 H43B 110.7 . . ?
H43A C43 H43B 108.8 . . ?
C45 C44 C43 102.2(7) . . ?
C45 C44 H44A 111.3 . . ?
C43 C44 H44A 111.3 . . ?
C45 C44 H44B 111.3 . . ?
C43 C44 H44B 111.3 . . ?
H44A C44 H44B 109.2 . . ?
C44 C45 C46 102.6(7) . . ?
C44 C45 H45A 111.2 . . ?
C46 C45 H45A 111.2 . . ?
C44 C45 H45B 111.2 . . ?
C46 C45 H45B 111.2 . . ?
H45A C45 H45B 109.2 . . ?
O4 C46 C45 107.1(7) . . ?
O4 C46 H46A 110.3 . . ?
C45 C46 H46A 110.3 . . ?
O4 C46 H46B 110.3 . . ?
C45 C46 H46B 110.3 . . ?
H46A C46 H46B 108.5 . . ?
O5 C47 C48 107.0(6) . . ?
O5 C47 H47A 110.3 . . ?
C48 C47 H47A 110.3 . . ?
O5 C47 H47B 110.3 . . ?
C48 C47 H47B 110.3 . . ?
H47A C47 H47B 108.6 . . ?
C47 C48 C49 102.8(5) . . ?
C47 C48 H48A 111.2 . . ?
C49 C48 H48A 111.2 . . ?
C47 C48 H48B 111.2 . . ?
C49 C48 H48B 111.2 . . ?
H48A C48 H48B 109.1 . . ?
C50 C49 C48 102.6(6) . . ?
C50 C49 H49A 111.3 . . ?
C48 C49 H49A 111.3 . . ?
C50 C49 H49B 111.3 . . ?
C48 C49 H49B 111.3 . . ?
H49A C49 H49B 109.2 . . ?
O5 C50 C49 107.8(6) . . ?
O5 C50 H50A 110.1 . . ?
C49 C50 H50A 110.1 . . ?
O5 C50 H50B 110.1 . . ?
C49 C50 H50B 110.1 . . ?
H50A C50 H50B 108.5 . . ?
O6 C51 C52 107.7(7) . . ?
O6 C51 H51A 110.2 . . ?
C52 C51 H51A 110.2 . . ?
O6 C51 H51B 110.2 . . ?
C52 C51 H51B 110.2 . . ?
H51A C51 H51B 108.5 . . ?
C51 C52 C53 104.7(7) . . ?
C51 C52 H52A 110.8 . . ?
C53 C52 H52A 110.8 . . ?
C51 C52 H52B 110.8 . . ?
C53 C52 H52B 110.8 . . ?
H52A C52 H52B 108.9 . . ?
C54 C53 C52 105.0(6) . . ?
C54 C53 H53A 110.8 . . ?
C52 C53 H53A 110.8 . . ?
C54 C53 H53B 110.8 . . ?
C52 C53 H53B 110.8 . . ?
H53A C53 H53B 108.8 . . ?
O6 C54 C53 105.4(6) . . ?
O6 C54 H54A 110.7 . . ?
C53 C54 H54A 110.7 . . ?
O6 C54 H54B 110.7 . . ?
C53 C54 H54B 110.7 . . ?
H54A C54 H54B 108.8 . . ?
C56 C55 C60 120 . . ?
C56 C55 P6 119.9(3) . . ?
C60 C55 P6 119.9(3) . . ?
C57 C56 C55 120 . . ?
C57 C56 H56 120 . . ?
C55 C56 H56 120 . . ?
C56 C57 C58 120 . . ?
C56 C57 H57 120 . . ?
C58 C57 H57 120 . . ?
C57 C58 C59 120 . . ?
C57 C58 H58 120 . . ?
C59 C58 H58 120 . . ?
C60 C59 C58 120 . . ?
C60 C59 H59 120 . . ?
C58 C59 H59 120 . . ?
C59 C60 C55 120 . . ?
C59 C60 H60 120 . . ?
C55 C60 H60 120 . . ?
N3 C61 C62 113.8(7) . . ?
N3 C61 C63 111.8(7) . . ?
C62 C61 C63 109.3(7) . . ?
N3 C61 H61 107.2 . . ?
C62 C61 H61 107.2 . . ?
C63 C61 H61 107.2 . . ?
C61 C62 H62A 109 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.9 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.6 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.4 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
N3 C64 C66 110.8(7) . . ?
N3 C64 C65 113.6(6) . . ?
C66 C64 C65 112.0(7) . . ?
N3 C64 H64 106.7 . . ?
C66 C64 H64 106.7 . . ?
C65 C64 H64 106.7 . . ?
C64 C65 H65A 109.3 . . ?
C64 C65 H65B 109.6 . . ?
H65A C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C64 C66 H66A 109.2 . . ?
C64 C66 H66B 109.6 . . ?
H66A C66 H66B 109.5 . . ?
C64 C66 H66C 109.7 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
Si3 C67 H67A 109.7 . . ?
Si3 C67 H67B 109.3 . . ?
H67A C67 H67B 109.5 . . ?
Si3 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
Si3 C68 H68A 109.5 . . ?
Si3 C68 H68B 109.4 . . ?
H68A C68 H68B 109.5 . . ?
Si3 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
Si3 C69 H69A 109.6 . . ?
Si3 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
Si3 C69 H69C 109.3 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
O7 C70 C71 103.6(6) . . ?
O7 C70 H70A 111 . . ?
C71 C70 H70A 111 . . ?
O7 C70 H70B 111 . . ?
C71 C70 H70B 111 . . ?
H70A C70 H70B 109 . . ?
C70 C71 C72 103.1(6) . . ?
C70 C71 H71A 111.1 . . ?
C72 C71 H71A 111.1 . . ?
C70 C71 H71B 111.1 . . ?
C72 C71 H71B 111.1 . . ?
H71A C71 H71B 109.1 . . ?
C73 C72 C71 104.8(6) . . ?
C73 C72 H72A 110.8 . . ?
C71 C72 H72A 110.8 . . ?
C73 C72 H72B 110.8 . . ?
C71 C72 H72B 110.8 . . ?
H72A C72 H72B 108.9 . . ?
O7 C73 C72 107.2(7) . . ?
O7 C73 H73A 110.3 . . ?
C72 C73 H73A 110.3 . . ?
O7 C73 H73B 110.3 . . ?
C72 C73 H73B 110.3 . . ?
H73A C73 H73B 108.5 . . ?
O8 C74 C75 105.1(7) . . ?
O8 C74 H74A 110.7 . . ?
C75 C74 H74A 110.7 . . ?
O8 C74 H74B 110.7 . . ?
C75 C74 H74B 110.7 . . ?
H74A C74 H74B 108.8 . . ?
C74 C75 C76 101.5(7) . . ?
C74 C75 H75A 111.5 . . ?
C76 C75 H75A 111.5 . . ?
C74 C75 H75B 111.5 . . ?
C76 C75 H75B 111.5 . . ?
H75A C75 H75B 109.3 . . ?
C77 C76 C75 102.0(7) . . ?
C77 C76 H76A 111.4 . . ?
C75 C76 H76A 111.4 . . ?
C77 C76 H76B 111.4 . . ?
C75 C76 H76B 111.4 . . ?
H76A C76 H76B 109.2 . . ?
O8 C77 C76 106.1(6) . . ?
O8 C77 H77A 110.5 . . ?
C76 C77 H77A 110.5 . . ?
O8 C77 H77B 110.5 . . ?
C76 C77 H77B 110.5 . . ?
H77A C77 H77B 108.7 . . ?
O9 C78 C79 105.6(6) . . ?
O9 C78 H78A 110.6 . . ?
C79 C78 H78A 110.6 . . ?
O9 C78 H78B 110.6 . . ?
C79 C78 H78B 110.6 . . ?
H78A C78 H78B 108.7 . . ?
C78 C79 C80 102.2(6) . . ?
C78 C79 H79A 111.3 . . ?
C80 C79 H79A 111.3 . . ?
C78 C79 H79B 111.3 . . ?
C80 C79 H79B 111.3 . . ?
H79A C79 H79B 109.2 . . ?
C81 C80 C79 105.1(6) . . ?
C81 C80 H80A 110.7 . . ?
C79 C80 H80A 110.7 . . ?
C81 C80 H80B 110.7 . . ?
C79 C80 H80B 110.7 . . ?
H80A C80 H80B 108.8 . . ?
O9 C81 C80 107.2(6) . . ?
O9 C81 H81A 110.3 . . ?
C80 C81 H81A 110.3 . . ?
O9 C81 H81B 110.3 . . ?
C80 C81 H81B 110.3 . . ?
H81A C81 H81B 108.5 . . ?
C83 C82 C87 120 . . ?
C83 C82 P8 121.4(3) . . ?
C87 C82 P8 118.5(3) . . ?
C84 C83 C82 120 . . ?
C84 C83 H83 120 . . ?
C82 C83 H83 120 . . ?
C83 C84 C85 120 . . ?
C83 C84 H84 120 . . ?
C85 C84 H84 120 . . ?
C86 C85 C84 120 . . ?
C86 C85 H85 120 . . ?
C84 C85 H85 120 . . ?
C87 C86 C85 120 . . ?
C87 C86 H86 120 . . ?
C85 C86 H86 120 . . ?
C86 C87 C82 120 . . ?
C86 C87 H87 120 . . ?
C82 C87 H87 120 . . ?
N4 C88 C90 111.0(7) . . ?
N4 C88 C89 114.2(7) . . ?
C90 C88 C89 110.6(7) . . ?
N4 C88 H88 106.9 . . ?
C90 C88 H88 106.9 . . ?
C89 C88 H88 106.9 . . ?
C88 C89 H89A 109.4 . . ?
C88 C89 H89B 109 . . ?
H89A C89 H89B 109.5 . . ?
C88 C89 H89C 109.9 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C88 C90 H90A 109.8 . . ?
C88 C90 H90B 109.1 . . ?
H90A C90 H90B 109.5 . . ?
C88 C90 H90C 109.6 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
N4 C91 C93 110.7(7) . . ?
N4 C91 C92 113.6(7) . . ?
C93 C91 C92 111.0(7) . . ?
N4 C91 H91 107 . . ?
C93 C91 H91 107 . . ?
C92 C91 H91 107 . . ?
C91 C92 H92A 109.6 . . ?
C91 C92 H92B 109.3 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.6 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C91 C93 H93A 109.1 . . ?
C91 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C91 C93 H93C 109.8 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
Si4 C94 H94A 109.2 . . ?
Si4 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
Si4 C94 H94C 109.6 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
Si4 C95 H95A 109.6 . . ?
Si4 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
Si4 C95 H95C 109.4 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
Si4 C96 H96A 109.4 . . ?
Si4 C96 H96B 109.6 . . ?
H96A C96 H96B 109.5 . . ?
Si4 C96 H96C 109.4 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
O10 C97 C98 105.5(6) . . ?
O10 C97 H97A 110.6 . . ?
C98 C97 H97A 110.6 . . ?
O10 C97 H97B 110.6 . . ?
C98 C97 H97B 110.6 . . ?
H97A C97 H97B 108.8 . . ?
C97 C98 C99 101.4(6) . . ?
C97 C98 H98A 111.5 . . ?
C99 C98 H98A 111.5 . . ?
C97 C98 H98B 111.5 . . ?
C99 C98 H98B 111.5 . . ?
H98A C98 H98B 109.3 . . ?
C100 C99 C98 102.3(6) . . ?
C100 C99 H99A 111.3 . . ?
C98 C99 H99A 111.3 . . ?
C100 C99 H99B 111.3 . . ?
C98 C99 H99B 111.3 . . ?
H99A C99 H99B 109.2 . . ?
O10 C100 C99 106.6(6) . . ?
O10 C100 H10A 110.4 . . ?
C99 C100 H10A 110.4 . . ?
O10 C100 H10B 110.4 . . ?
C99 C100 H10B 110.4 . . ?
H10A C100 H10B 108.6 . . ?
O11 C101 C102 106.0(6) . . ?
O11 C101 H10C 110.5 . . ?
C102 C101 H10C 110.5 . . ?
O11 C101 H10D 110.5 . . ?
C102 C101 H10D 110.5 . . ?
H10C C101 H10D 108.7 . . ?
C101 C102 C103 102.9(6) . . ?
C101 C102 H10E 111.2 . . ?
C103 C102 H10E 111.2 . . ?
C101 C102 H10F 111.2 . . ?
C103 C102 H10F 111.2 . . ?
H10E C102 H10F 109.1 . . ?
C104 C103 C102 102.8(6) . . ?
C104 C103 H10G 111.2 . . ?
C102 C103 H10G 111.2 . . ?
C104 C103 H10H 111.2 . . ?
C102 C103 H10H 111.2 . . ?
H10G C103 H10H 109.1 . . ?
O11 C104 C103 104.4(6) . . ?
O11 C104 H10I 110.9 . . ?
C103 C104 H10I 110.9 . . ?
O11 C104 H10J 110.9 . . ?
C103 C104 H10J 110.9 . . ?
H10I C104 H10J 108.9 . . ?
O12 C105 C106 107.3(6) . . ?
O12 C105 H10K 110.2 . . ?
C106 C105 H10K 110.2 . . ?
O12 C105 H10L 110.2 . . ?
C106 C105 H10L 110.2 . . ?
H10K C105 H10L 108.5 . . ?
C105 C106 C107 104.7(7) . . ?
C105 C106 H10M 110.8 . . ?
C107 C106 H10M 110.8 . . ?
C105 C106 H10N 110.8 . . ?
C107 C106 H10N 110.8 . . ?
H10M C106 H10N 108.9 . . ?
C108 C107 C106 102.6(6) . . ?
C108 C107 H10O 111.2 . . ?
C106 C107 H10O 111.2 . . ?
C108 C107 H10P 111.2 . . ?
C106 C107 H10P 111.2 . . ?
H10O C107 H10P 109.2 . . ?
O12 C108 C107 104.4(6) . . ?
O12 C108 H10Q 110.9 . . ?
C107 C108 H10Q 110.9 . . ?
O12 C108 H10R 110.9 . . ?
C107 C108 H10R 110.9 . . ?
H10Q C108 H10R 108.9 . . ?
O1 Li1 O3 104.9(7) . . ?
O1 Li1 O2 105.3(6) . . ?
O3 Li1 O2 105.4(6) . . ?
O1 Li1 P1 104.5(6) . . ?
O3 Li1 P1 118.3(6) . . ?
O2 Li1 P1 117.1(6) . . ?
O5 Li2 O6 102.4(7) . . ?
O5 Li2 O4 101.3(6) . . ?
O6 Li2 O4 106.8(7) . . ?
O5 Li2 P3 102.8(6) . . ?
O6 Li2 P3 113.7(6) . . ?
O4 Li2 P3 126.3(6) . . ?
O7 Li3 O9 102.8(7) . . ?
O7 Li3 O8 106.4(7) . . ?
O9 Li3 O8 104.2(7) . . ?
O7 Li3 P5 107.6(6) . . ?
O9 Li3 P5 123.9(6) . . ?
O8 Li3 P5 110.6(6) . . ?
O10 Li4 O12 106.8(7) . . ?
O10 Li4 O11 100.6(6) . . ?
O12 Li4 O11 103.3(6) . . ?
O10 Li4 P7 126.9(6) . . ?
O12 Li4 P7 110.3(6) . . ?
O11 Li4 P7 106.1(6) . . ?
C7 N1 C10 116.3(7) . . ?
C7 N1 P2 122.3(5) . . ?
C10 N1 P2 118.1(5) . . ?
C37 N2 C34 117.0(6) . . ?
C37 N2 P4 116.5(5) . . ?
C34 N2 P4 121.0(5) . . ?
C61 N3 C64 117.2(6) . . ?
C61 N3 P6 121.6(5) . . ?
C64 N3 P6 117.0(5) . . ?
C91 N4 C88 116.1(6) . . ?
C91 N4 P8 117.3(5) . . ?
C88 N4 P8 121.2(5) . . ?
C16 O1 C19 109.4(5) . . ?
C16 O1 Li1 128.3(6) . . ?
C19 O1 Li1 118.6(6) . . ?
C20 O2 C23 109.6(5) . . ?
C20 O2 Li1 119.1(6) . . ?
C23 O2 Li1 129.0(5) . . ?
C27 O3 C24 107.1(5) . . ?
C27 O3 Li1 118.4(6) . . ?
C24 O3 Li1 134.5(6) . . ?
C46 O4 C43 107.1(5) . . ?
C46 O4 Li2 132.1(6) . . ?
C43 O4 Li2 120.3(6) . . ?
C47 O5 C50 108.4(5) . . ?
C47 O5 Li2 120.7(6) . . ?
C50 O5 Li2 130.8(6) . . ?
C54 O6 C51 108.2(5) . . ?
C54 O6 Li2 134.7(6) . . ?
C51 O6 Li2 116.9(6) . . ?
C73 O7 C70 107.9(6) . . ?
C73 O7 Li3 121.4(7) . . ?
C70 O7 Li3 125.1(6) . . ?
C74 O8 C77 108.6(6) . . ?
C74 O8 Li3 121.1(6) . . ?
C77 O8 Li3 127.3(6) . . ?
C78 O9 C81 107.4(5) . . ?
C78 O9 Li3 133.1(6) . . ?
C81 O9 Li3 119.3(6) . . ?
C100 O10 C97 108.1(5) . . ?
C100 O10 Li4 131.2(6) . . ?
C97 O10 Li4 120.3(6) . . ?
C101 O11 C104 109.9(5) . . ?
C101 O11 Li4 114.3(6) . . ?
C104 O11 Li4 131.2(6) . . ?
C105 O12 C108 108.0(5) . . ?
C105 O12 Li4 115.6(6) . . ?
C108 O12 Li4 134.6(6) . . ?
P2 P1 Si1 101.10(11) . . ?
P2 P1 Li1 119.6(3) . . ?
Si1 P1 Li1 133.3(3) . . ?
N1 P2 C1 99.9(3) . . ?
N1 P2 P1 109.1(2) . . ?
C1 P2 P1 102.26(18) . . ?
P4 P3 Si2 98.11(10) . . ?
P4 P3 Li2 116.1(3) . . ?
Si2 P3 Li2 120.3(3) . . ?
N2 P4 C28 99.8(3) . . ?
N2 P4 P3 108.8(2) . . ?
C28 P4 P3 103.95(17) . . ?
P6 P5 Si3 104.17(11) . . ?
P6 P5 Li3 119.7(3) . . ?
Si3 P5 Li3 135.1(3) . . ?
N3 P6 C55 100.1(3) . . ?
N3 P6 P5 112.4(2) . . ?
C55 P6 P5 98.79(17) . . ?
P8 P7 Si4 99.66(10) . . ?
P8 P7 Li4 119.1(3) . . ?
Si4 P7 Li4 118.5(3) . . ?
N4 P8 C82 100.0(3) . . ?
N4 P8 P7 109.5(2) . . ?
C82 P8 P7 103.37(17) . . ?
C13 Si1 C14 106.0(4) . . ?
C13 Si1 C15 107.5(4) . . ?
C14 Si1 C15 105.4(4) . . ?
C13 Si1 P1 114.2(3) . . ?
C14 Si1 P1 115.3(3) . . ?
C15 Si1 P1 107.9(3) . . ?
C42 Si2 C40 105.1(3) . . ?
C42 Si2 C41 106.6(4) . . ?
C40 Si2 C41 107.2(4) . . ?
C42 Si2 P3 114.2(3) . . ?
C40 Si2 P3 114.8(3) . . ?
C41 Si2 P3 108.4(3) . . ?
C68 Si3 C67 106.2(3) . . ?
C68 Si3 C69 105.8(4) . . ?
C67 Si3 C69 108.9(4) . . ?
C68 Si3 P5 115.3(3) . . ?
C67 Si3 P5 113.8(3) . . ?
C69 Si3 P5 106.4(3) . . ?
C96 Si4 C95 107.1(4) . . ?
C96 Si4 C94 106.1(4) . . ?
C95 Si4 C94 105.7(5) . . ?
C96 Si4 P7 107.6(3) . . ?
C95 Si4 P7 115.0(3) . . ?
C94 Si4 P7 114.8(3) . . ?
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
C1 C2 1.39 . ?
C1 C6 1.39 . ?
C1 P2 1.874(4) . ?
C2 C3 1.39 . ?
C2 H2 0.93 . ?
C3 C4 1.39 . ?
C3 H3 0.93 . ?
C4 C5 1.39 . ?
C4 H4 0.93 . ?
C5 C6 1.39 . ?
C5 H5 0.93 . ?
C6 H6 0.93 . ?
C7 N1 1.437(10) . ?
C7 C8 1.512(12) . ?
C7 C9 1.537(11) . ?
C7 H7 0.98 . ?
C8 H8A 0.9601 . ?
C8 H8B 0.9599 . ?
C8 H8C 0.9599 . ?
C9 H9A 0.96 . ?
C9 H9B 0.9601 . ?
C9 H9C 0.9599 . ?
C10 N1 1.491(10) . ?
C10 C11 1.531(12) . ?
C10 C12 1.535(15) . ?
C10 H10 0.98 . ?
C11 H11A 0.9601 . ?
C11 H11B 0.9599 . ?
C11 H11C 0.96 . ?
C12 H12A 0.9601 . ?
C12 H12B 0.9601 . ?
C12 H12C 0.9601 . ?
C13 Si1 1.873(9) . ?
C13 H13A 0.9599 . ?
C13 H13B 0.9601 . ?
C13 H13C 0.96 . ?
C14 Si1 1.875(9) . ?
C14 H14A 0.9599 . ?
C14 H14B 0.96 . ?
C14 H14C 0.96 . ?
C15 Si1 1.884(7) . ?
C15 H15A 0.9599 . ?
C15 H15B 0.96 . ?
C15 H15C 0.96 . ?
C16 O1 1.429(9) . ?
C16 C17 1.495(2) . ?
C16 H16A 0.97 . ?
C16 H16B 0.97 . ?
C17 C18 1.525(11) . ?
C17 H17A 0.97 . ?
C17 H17B 0.97 . ?
C18 C19 1.496(2) . ?
C18 H18A 0.97 . ?
C18 H18B 0.97 . ?
C19 O1 1.467(9) . ?
C19 H19A 0.97 . ?
C19 H19B 0.97 . ?
C20 O2 1.451(9) . ?
C20 C21 1.494(2) . ?
C20 H20A 0.97 . ?
C20 H20B 0.97 . ?
C21 C22 1.540(12) . ?
C21 H21A 0.97 . ?
C21 H21B 0.97 . ?
C22 C23 1.495(2) . ?
C22 H22A 0.97 . ?
C22 H22B 0.97 . ?
C23 O2 1.451(9) . ?
C23 H23A 0.97 . ?
C23 H23B 0.97 . ?
C24 O3 1.432(9) . ?
C24 C25 1.496(2) . ?
C24 H24A 0.97 . ?
C24 H24B 0.97 . ?
C25 C26 1.515(12) . ?
C25 H25A 0.97 . ?
C25 H25B 0.97 . ?
C26 C27 1.496(2) . ?
C26 H26A 0.97 . ?
C26 H26B 0.97 . ?
C27 O3 1.429(10) . ?
C27 H27A 0.97 . ?
C27 H27B 0.97 . ?
C28 C29 1.39 . ?
C28 C33 1.39 . ?
C28 P4 1.872(4) . ?
C29 C30 1.39 . ?
C29 H29 0.93 . ?
C30 C31 1.39 . ?
C30 H30 0.93 . ?
C31 C32 1.39 . ?
C31 H31 0.93 . ?
C32 C33 1.39 . ?
C32 H32 0.93 . ?
C33 H33 0.93 . ?
C34 N2 1.484(9) . ?
C34 C35 1.518(10) . ?
C34 C36 1.541(10) . ?
C34 H34 0.98 . ?
C35 H35A 0.96 . ?
C35 H35B 0.96 . ?
C35 H35C 0.9599 . ?
C36 H36A 0.9601 . ?
C36 H36B 0.9601 . ?
C36 H36C 0.96 . ?
C37 N2 1.466(9) . ?
C37 C39 1.521(12) . ?
C37 C38 1.522(11) . ?
C37 H37 0.98 . ?
C38 H38A 0.96 . ?
C38 H38B 0.9599 . ?
C38 H38C 0.96 . ?
C39 H39A 0.96 . ?
C39 H39B 0.9601 . ?
C39 H39C 0.9601 . ?
C40 Si2 1.889(7) . ?
C40 H40A 0.9601 . ?
C40 H40B 0.96 . ?
C40 H40C 0.9599 . ?
C41 Si2 1.892(7) . ?
C41 H41A 0.9601 . ?
C41 H41B 0.9599 . ?
C41 H41C 0.96 . ?
C42 Si2 1.880(8) . ?
C42 H42A 0.9602 . ?
C42 H42B 0.9599 . ?
C42 H42C 0.96 . ?
C43 O4 1.449(9) . ?
C43 C44 1.494(2) . ?
C43 H43A 0.97 . ?
C43 H43B 0.97 . ?
C44 C45 1.485(14) . ?
C44 H44A 0.97 . ?
C44 H44B 0.97 . ?
C45 C46 1.497(2) . ?
C45 H45A 0.97 . ?
C45 H45B 0.97 . ?
C46 O4 1.448(10) . ?
C46 H46A 0.97 . ?
C46 H46B 0.97 . ?
C47 O5 1.429(9) . ?
C47 C48 1.497(2) . ?
C47 H47A 0.97 . ?
C47 H47B 0.97 . ?
C48 C49 1.514(10) . ?
C48 H48A 0.97 . ?
C48 H48B 0.97 . ?
C49 C50 1.496(2) . ?
C49 H49A 0.97 . ?
C49 H49B 0.97 . ?
C50 O5 1.434(9) . ?
C50 H50A 0.97 . ?
C50 H50B 0.97 . ?
C51 O6 1.438(9) . ?
C51 C52 1.495(2) . ?
C51 H51A 0.97 . ?
C51 H51B 0.97 . ?
C52 C53 1.534(12) . ?
C52 H52A 0.97 . ?
C52 H52B 0.97 . ?
C53 C54 1.494(2) . ?
C53 H53A 0.97 . ?
C53 H53B 0.97 . ?
C54 O6 1.431(9) . ?
C54 H54A 0.97 . ?
C54 H54B 0.97 . ?
C55 C56 1.39 . ?
C55 C60 1.39 . ?
C55 P6 1.880(4) . ?
C56 C57 1.39 . ?
C56 H56 0.93 . ?
C57 C58 1.39 . ?
C57 H57 0.93 . ?
C58 C59 1.39 . ?
C58 H58 0.93 . ?
C59 C60 1.39 . ?
C59 H59 0.93 . ?
C60 H60 0.93 . ?
C61 N3 1.449(9) . ?
C61 C62 1.522(12) . ?
C61 C63 1.541(11) . ?
C61 H61 0.98 . ?
C62 H62A 0.96 . ?
C62 H62B 0.9601 . ?
C62 H62C 0.9601 . ?
C63 H63A 0.9599 . ?
C63 H63B 0.96 . ?
C63 H63C 0.96 . ?
C64 N3 1.490(10) . ?
C64 C66 1.522(12) . ?
C64 C65 1.524(11) . ?
C64 H64 0.98 . ?
C65 H65A 0.96 . ?
C65 H65B 0.9601 . ?
C65 H65C 0.96 . ?
C66 H66A 0.9601 . ?
C66 H66B 0.9599 . ?
C66 H66C 0.9601 . ?
C67 Si3 1.882(7) . ?
C67 H67A 0.96 . ?
C67 H67B 0.9601 . ?
C67 H67C 0.9601 . ?
C68 Si3 1.872(7) . ?
C68 H68A 0.9599 . ?
C68 H68B 0.9601 . ?
C68 H68C 0.9601 . ?
C69 Si3 1.884(8) . ?
C69 H69A 0.96 . ?
C69 H69B 0.96 . ?
C69 H69C 0.9599 . ?
C70 O7 1.452(9) . ?
C70 C71 1.496(2) . ?
C70 H70A 0.97 . ?
C70 H70B 0.97 . ?
C71 C72 1.522(11) . ?
C71 H71A 0.97 . ?
C71 H71B 0.97 . ?
C72 C73 1.488(11) . ?
C72 H72A 0.97 . ?
C72 H72B 0.97 . ?
C73 O7 1.449(9) . ?
C73 H73A 0.97 . ?
C73 H73B 0.97 . ?
C74 O8 1.449(9) . ?
C74 C75 1.486(13) . ?
C74 H74A 0.97 . ?
C74 H74B 0.97 . ?
C75 C76 1.534(12) . ?
C75 H75A 0.97 . ?
C75 H75B 0.97 . ?
C76 C77 1.498(12) . ?
C76 H76A 0.97 . ?
C76 H76B 0.97 . ?
C77 O8 1.456(9) . ?
C77 H77A 0.97 . ?
C77 H77B 0.97 . ?
C78 O9 1.419(8) . ?
C78 C79 1.496(2) . ?
C78 H78A 0.97 . ?
C78 H78B 0.97 . ?
C79 C80 1.510(12) . ?
C79 H79A 0.97 . ?
C79 H79B 0.97 . ?
C80 C81 1.497(2) . ?
C80 H80A 0.97 . ?
C80 H80B 0.97 . ?
C81 O9 1.437(9) . ?
C81 H81A 0.97 . ?
C81 H81B 0.97 . ?
C82 C83 1.39 . ?
C82 C87 1.39 . ?
C82 P8 1.877(4) . ?
C83 C84 1.39 . ?
C83 H83 0.93 . ?
C84 C85 1.39 . ?
C84 H84 0.93 . ?
C85 C86 1.39 . ?
C85 H85 0.93 . ?
C86 C87 1.39 . ?
C86 H86 0.93 . ?
C87 H87 0.93 . ?
C88 N4 1.486(10) . ?
C88 C90 1.527(11) . ?
C88 C89 1.529(12) . ?
C88 H88 0.98 . ?
C89 H89A 0.96 . ?
C89 H89B 0.96 . ?
C89 H89C 0.9601 . ?
C90 H90A 0.9599 . ?
C90 H90B 0.96 . ?
C90 H90C 0.9599 . ?
C91 N4 1.453(10) . ?
C91 C93 1.513(12) . ?
C91 C92 1.548(11) . ?
C91 H91 0.98 . ?
C92 H92A 0.96 . ?
C92 H92B 0.9601 . ?
C92 H92C 0.9599 . ?
C93 H93A 0.9599 . ?
C93 H93B 0.9599 . ?
C93 H93C 0.9602 . ?
C94 Si4 1.882(9) . ?
C94 H94A 0.9598 . ?
C94 H94B 0.9602 . ?
C94 H94C 0.9601 . ?
C95 Si4 1.880(8) . ?
C95 H95A 0.96 . ?
C95 H95B 0.9601 . ?
C95 H95C 0.9601 . ?
C96 Si4 1.879(8) . ?
C96 H96A 0.9599 . ?
C96 H96B 0.96 . ?
C96 H96C 0.96 . ?
C97 O10 1.448(9) . ?
C97 C98 1.496(2) . ?
C97 H97A 0.97 . ?
C97 H97B 0.97 . ?
C98 C99 1.515(12) . ?
C98 H98A 0.97 . ?
C98 H98B 0.97 . ?
C99 C100 1.496(2) . ?
C99 H99A 0.97 . ?
C99 H99B 0.97 . ?
C100 O10 1.446(8) . ?
C100 H10A 0.97 . ?
C100 H10B 0.97 . ?
C101 O11 1.435(8) . ?
C101 C102 1.497(2) . ?
C101 H10C 0.97 . ?
C101 H10D 0.97 . ?
C102 C103 1.511(11) . ?
C102 H10E 0.97 . ?
C102 H10F 0.97 . ?
C103 C104 1.496(2) . ?
C103 H10G 0.97 . ?
C103 H10H 0.97 . ?
C104 O11 1.455(9) . ?
C104 H10I 0.97 . ?
C104 H10J 0.97 . ?
C105 O12 1.435(9) . ?
C105 C106 1.497(2) . ?
C105 H10K 0.97 . ?
C105 H10L 0.97 . ?
C106 C107 1.542(13) . ?
C106 H10M 0.97 . ?
C106 H10N 0.97 . ?
C107 C108 1.495(2) . ?
C107 H10O 0.97 . ?
C107 H10P 0.97 . ?
C108 O12 1.441(9) . ?
C108 H10Q 0.97 . ?
C108 H10R 0.97 . ?
Li1 O1 1.932(15) . ?
Li1 O3 1.944(13) . ?
Li1 O2 1.950(15) . ?
Li1 P1 2.520(12) . ?
Li2 O5 1.927(14) . ?
Li2 O6 1.946(14) . ?
Li2 O4 1.952(16) . ?
Li2 P3 2.515(14) . ?
Li3 O7 1.937(15) . ?
Li3 O9 1.959(14) . ?
Li3 O8 1.988(15) . ?
Li3 P5 2.520(14) . ?
Li4 O10 1.939(15) . ?
Li4 O12 1.946(15) . ?
Li4 O11 1.971(14) . ?
Li4 P7 2.519(13) . ?
N1 P2 1.731(7) . ?
N2 P4 1.724(6) . ?
N3 P6 1.721(6) . ?
N4 P8 1.723(6) . ?
P1 P2 2.165(3) . ?
P1 Si1 2.196(3) . ?
P3 P4 2.176(3) . ?
P3 Si2 2.205(3) . ?
P5 P6 2.164(3) . ?
P5 Si3 2.203(3) . ?
P7 P8 2.172(3) . ?
P7 Si4 2.199(3) . ?
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
C6 C1 C2 C3 0 . . . . ?
P2 C1 C2 C3 174.9(4) . . . . ?
C1 C2 C3 C4 0 . . . . ?
C2 C3 C4 C5 0 . . . . ?
C3 C4 C5 C6 0 . . . . ?
C4 C5 C6 C1 0 . . . . ?
C2 C1 C6 C5 0 . . . . ?
P2 C1 C6 C5 -174.9(4) . . . . ?
O1 C16 C17 C18 36.7(8) . . . . ?
C16 C17 C18 C19 -31.1(10) . . . . ?
C17 C18 C19 O1 14.1(10) . . . . ?
O2 C20 C21 C22 33.9(9) . . . . ?
C20 C21 C22 C23 -36.7(9) . . . . ?
C21 C22 C23 O2 26.1(8) . . . . ?
O3 C24 C25 C26 31.0(9) . . . . ?
C24 C25 C26 C27 -16.9(10) . . . . ?
C25 C26 C27 O3 -3.1(12) . . . . ?
C33 C28 C29 C30 0 . . . . ?
P4 C28 C29 C30 175.9(4) . . . . ?
C28 C29 C30 C31 0 . . . . ?
C29 C30 C31 C32 0 . . . . ?
C30 C31 C32 C33 0 . . . . ?
C31 C32 C33 C28 0 . . . . ?
C29 C28 C33 C32 0 . . . . ?
P4 C28 C33 C32 -176.0(3) . . . . ?
O4 C43 C44 C45 -36.8(9) . . . . ?
C43 C44 C45 C46 38.1(9) . . . . ?
C44 C45 C46 O4 -26.6(9) . . . . ?
O5 C47 C48 C49 -30.1(8) . . . . ?
C47 C48 C49 C50 33.0(8) . . . . ?
C48 C49 C50 O5 -25.4(8) . . . . ?
O6 C51 C52 C53 4.4(10) . . . . ?
C51 C52 C53 C54 13.8(10) . . . . ?
C52 C53 C54 O6 -27.2(10) . . . . ?
C60 C55 C56 C57 0 . . . . ?
P6 C55 C56 C57 175.4(3) . . . . ?
C55 C56 C57 C58 0 . . . . ?
C56 C57 C58 C59 0 . . . . ?
C57 C58 C59 C60 0 . . . . ?
C58 C59 C60 C55 0 . . . . ?
C56 C55 C60 C59 0 . . . . ?
P6 C55 C60 C59 -175.4(3) . . . . ?
O7 C70 C71 C72 36.6(8) . . . . ?
C70 C71 C72 C73 -27.8(9) . . . . ?
C71 C72 C73 O7 8.8(10) . . . . ?
O8 C74 C75 C76 37.3(8) . . . . ?
C74 C75 C76 C77 -39.7(8) . . . . ?
C75 C76 C77 O8 27.9(9) . . . . ?
O9 C78 C79 C80 35.3(8) . . . . ?
C78 C79 C80 C81 -24.8(10) . . . . ?
C79 C80 C81 O9 6.3(11) . . . . ?
C87 C82 C83 C84 0 . . . . ?
P8 C82 C83 C84 176.3(4) . . . . ?
C82 C83 C84 C85 0 . . . . ?
C83 C84 C85 C86 0 . . . . ?
C84 C85 C86 C87 0 . . . . ?
C85 C86 C87 C82 0 . . . . ?
C83 C82 C87 C86 0 . . . . ?
P8 C82 C87 C86 -176.4(3) . . . . ?
O10 C97 C98 C99 -36.3(8) . . . . ?
C97 C98 C99 C100 39.0(8) . . . . ?
C98 C99 C100 O10 -28.3(8) . . . . ?
O11 C101 C102 C103 27.5(7) . . . . ?
C101 C102 C103 C104 -37.1(7) . . . . ?
C102 C103 C104 O11 33.1(7) . . . . ?
O12 C105 C106 C107 -3.7(9) . . . . ?
C105 C106 C107 C108 23.6(9) . . . . ?
C106 C107 C108 O12 -35.2(8) . . . . ?
C8 C7 N1 C10 62.4(9) . . . . ?
C9 C7 N1 C10 -63.7(9) . . . . ?
C8 C7 N1 P2 -96.6(8) . . . . ?
C9 C7 N1 P2 137.3(6) . . . . ?
C11 C10 N1 C7 -109.4(9) . . . . ?
C12 C10 N1 C7 124.6(8) . . . . ?
C11 C10 N1 P2 50.6(11) . . . . ?
C12 C10 N1 P2 -75.5(8) . . . . ?
C39 C37 N2 C34 -132.6(7) . . . . ?
C38 C37 N2 C34 101.6(8) . . . . ?
C39 C37 N2 P4 73.1(7) . . . . ?
C38 C37 N2 P4 -52.7(8) . . . . ?
C35 C34 N2 C37 -57.0(9) . . . . ?
C36 C34 N2 C37 67.5(8) . . . . ?
C35 C34 N2 P4 96.0(7) . . . . ?
C36 C34 N2 P4 -139.4(6) . . . . ?
C62 C61 N3 C64 60.7(9) . . . . ?
C63 C61 N3 C64 -63.7(9) . . . . ?
C62 C61 N3 P6 -95.4(8) . . . . ?
C63 C61 N3 P6 140.1(6) . . . . ?
C66 C64 N3 C61 130.0(7) . . . . ?
C65 C64 N3 C61 -102.9(8) . . . . ?
C66 C64 N3 P6 -72.8(7) . . . . ?
C65 C64 N3 P6 54.3(9) . . . . ?
C93 C91 N4 C88 -132.1(7) . . . . ?
C92 C91 N4 C88 102.2(8) . . . . ?
C93 C91 N4 P8 73.5(8) . . . . ?
C92 C91 N4 P8 -52.2(9) . . . . ?
C90 C88 N4 C91 68.1(9) . . . . ?
C89 C88 N4 C91 -57.8(9) . . . . ?
C90 C88 N4 P8 -138.6(6) . . . . ?
C89 C88 N4 P8 95.5(8) . . . . ?
C17 C16 O1 C19 -29.4(9) . . . . ?
C17 C16 O1 Li1 128.0(8) . . . . ?
C18 C19 O1 C16 9.3(10) . . . . ?
C18 C19 O1 Li1 -150.6(7) . . . . ?
C21 C20 O2 C23 -18.5(9) . . . . ?
C21 C20 O2 Li1 145.9(7) . . . . ?
C22 C23 O2 C20 -5.4(9) . . . . ?
C22 C23 O2 Li1 -167.7(7) . . . . ?
C26 C27 O3 C24 23.1(11) . . . . ?
C26 C27 O3 Li1 -158.8(8) . . . . ?
C25 C24 O3 C27 -33.8(9) . . . . ?
C25 C24 O3 Li1 148.6(8) . . . . ?
C45 C46 O4 C43 3.8(9) . . . . ?
C45 C46 O4 Li2 176.6(8) . . . . ?
C44 C43 O4 C46 20.5(9) . . . . ?
C44 C43 O4 Li2 -153.3(7) . . . . ?
C48 C47 O5 C50 14.7(8) . . . . ?
C48 C47 O5 Li2 -165.2(7) . . . . ?
C49 C50 O5 C47 7.1(8) . . . . ?
C49 C50 O5 Li2 -173.0(7) . . . . ?
C53 C54 O6 C51 31.0(9) . . . . ?
C53 C54 O6 Li2 -145.4(9) . . . . ?
C52 C51 O6 C54 -22.2(10) . . . . ?
C52 C51 O6 Li2 154.9(7) . . . . ?
C72 C73 O7 C70 14.5(10) . . . . ?
C72 C73 O7 Li3 -140.4(8) . . . . ?
C71 C70 O7 C73 -32.2(8) . . . . ?
C71 C70 O7 Li3 121.6(7) . . . . ?
C75 C74 O8 C77 -20.7(9) . . . . ?
C75 C74 O8 Li3 141.2(7) . . . . ?
C76 C77 O8 C74 -5.2(9) . . . . ?
C76 C77 O8 Li3 -165.7(7) . . . . ?
C79 C78 O9 C81 -32.6(9) . . . . ?
C79 C78 O9 Li3 142.8(8) . . . . ?
C80 C81 O9 C78 16.2(10) . . . . ?
C80 C81 O9 Li3 -160.0(8) . . . . ?
C99 C100 O10 C97 5.9(8) . . . . ?
C99 C100 O10 Li4 -166.8(7) . . . . ?
C98 C97 O10 C100 19.5(8) . . . . ?
C98 C97 O10 Li4 -166.9(6) . . . . ?
C102 C101 O11 C104 -7.0(8) . . . . ?
C102 C101 O11 Li4 -165.9(6) . . . . ?
C103 C104 O11 C101 -16.6(8) . . . . ?
C103 C104 O11 Li4 137.5(7) . . . . ?
C106 C105 O12 C108 -18.9(9) . . . . ?
C106 C105 O12 Li4 148.0(7) . . . . ?
C107 C108 O12 C105 34.5(8) . . . . ?
C107 C108 O12 Li4 -128.9(8) . . . . ?
C7 N1 P2 C1 -69.8(6) . . . . ?
C10 N1 P2 C1 131.5(6) . . . . ?
C7 N1 P2 P1 37.0(6) . . . . ?
C10 N1 P2 P1 -121.7(6) . . . . ?
C2 C1 P2 N1 156.6(3) . . . . ?
C6 C1 P2 N1 -28.5(4) . . . . ?
C2 C1 P2 P1 44.3(3) . . . . ?
C6 C1 P2 P1 -140.7(2) . . . . ?
C37 N2 P4 C28 -136.0(5) . . . . ?
C34 N2 P4 C28 70.8(6) . . . . ?
C37 N2 P4 P3 115.5(5) . . . . ?
C34 N2 P4 P3 -37.7(6) . . . . ?
C29 C28 P4 N2 23.0(3) . . . . ?
C33 C28 P4 N2 -161.0(3) . . . . ?
C29 C28 P4 P3 135.3(2) . . . . ?
C33 C28 P4 P3 -48.7(3) . . . . ?
C61 N3 P6 C55 -70.5(6) . . . . ?
C64 N3 P6 C55 133.3(5) . . . . ?
C61 N3 P6 P5 33.4(6) . . . . ?
C64 N3 P6 P5 -122.8(5) . . . . ?
C56 C55 P6 N3 154.3(3) . . . . ?
C60 C55 P6 N3 -30.4(3) . . . . ?
C56 C55 P6 P5 39.5(3) . . . . ?
C60 C55 P6 P5 -145.1(2) . . . . ?
C91 N4 P8 C82 -132.2(6) . . . . ?
C88 N4 P8 C82 74.8(6) . . . . ?
C91 N4 P8 P7 119.7(5) . . . . ?
C88 N4 P8 P7 -33.3(6) . . . . ?
C83 C82 P8 N4 23.1(4) . . . . ?
C87 C82 P8 N4 -160.5(3) . . . . ?
C83 C82 P8 P7 136.1(2) . . . . ?
C87 C82 P8 P7 -47.6(3) . . . . ?
