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#$Date: 2024-10-06 10:07:48 +0300 (Sun, 06 Oct 2024) $
#$Revision: 295192 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/22/1572208.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_1572208
loop_
_publ_author_name
'Würdemann, Marie Sophie'
'Kühn, Steffen'
'Bötel, Tobias'
'Schmidtmann, Marc'
'Müller, Thomas'
_publ_section_title
;
 Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.
;
_journal_issue                   35
_journal_name_full               'Chemical science'
_journal_page_first              14161
_journal_page_last               14170
_journal_paper_doi               10.1039/d4sc04034a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_structural     POC4(CH3)2(Si(CH3)3)2(N(C3H7)2)
_chemical_formula_sum            'C18 H38 N O P Si2'
_chemical_formula_weight         371.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-06-17 deposited with the CCDC.	2024-07-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.0698(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2065(3)
_cell_length_b                   19.2905(5)
_cell_length_c                   11.5732(3)
_cell_measurement_reflns_used    9814
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.35
_cell_measurement_theta_min      2.76
_cell_volume                     2265.86(11)
_computing_cell_refinement       'Bruker SAINT V8.40B'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT V8.40B'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Photon III CPAD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_unetI/netI     0.0182
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            138771
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         36.317
_diffrn_reflns_theta_min         2.061
_diffrn_source                   'I\mS microfocus'
_exptl_absorpt_coefficient_mu    0.232
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9489
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 (Sheldrick)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.089
_exptl_crystal_description       plate
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.588
_refine_diff_density_min         -0.580
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         10977
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0400P)²+0.6500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.0933
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9886
_reflns_number_total             10977
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc04034a3.cif
_cod_data_source_block           34a
_cod_depositor_comments
'Adding full bibliography for 1572207--1572213.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1572208
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.970
_shelx_estimated_absorpt_t_max   0.986
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
P1 P 0.57792(2) 0.22104(2) 0.28744(2) 0.01549(4) Uani 1 1 d . . . . .
Si1 Si 0.42361(2) 0.07106(2) 0.27236(2) 0.01668(4) Uani 1 1 d . . . . .
Si2 Si 0.56643(2) 0.39045(2) 0.26020(2) 0.01708(5) Uani 1 1 d . . . . .
O1 O 0.61998(7) 0.21658(3) 0.41429(5) 0.02583(13) Uani 1 1 d . . . . .
N1 N 0.70429(7) 0.20732(4) 0.21066(6) 0.02000(12) Uani 1 1 d . . . . .
C1 C 0.43909(7) 0.16574(4) 0.23995(6) 0.01609(11) Uani 1 1 d . . . . .
C2 C 0.34106(7) 0.20770(4) 0.19345(6) 0.01589(11) Uani 1 1 d . . . . .
C3 C 0.37223(7) 0.28443(4) 0.19759(6) 0.01585(11) Uani 1 1 d . . . . .
C4 C 0.49716(7) 0.30085(4) 0.23989(6) 0.01546(11) Uani 1 1 d . . . . .
C5 C 0.20637(8) 0.18506(5) 0.14317(7) 0.02215(14) Uani 1 1 d . . . . .
H5A H 0.204878 0.134529 0.134389 0.033 Uiso 1 1 calc R U . . .
H5B H 0.184845 0.206823 0.067010 0.033 Uiso 1 1 calc R U . . .
H5C H 0.141391 0.199039 0.195248 0.033 Uiso 1 1 calc R U . . .
C6 C 0.26411(8) 0.33470(4) 0.15958(7) 0.02181(14) Uani 1 1 d . . . . .
H6A H 0.231559 0.325843 0.078200 0.033 Uiso 1 1 calc R U . . .
H6B H 0.298219 0.382142 0.167469 0.033 Uiso 1 1 calc R U . . .
H6C H 0.191885 0.328962 0.208229 0.033 Uiso 1 1 calc R U . . .
C7 C 0.57365(11) 0.04006(6) 0.36339(11) 0.0355(2) Uani 1 1 d . . . . .
H7A H 0.648875 0.040602 0.317323 0.053 Uiso 1 1 calc R U . . .
H7B H 0.559098 -0.007310 0.389852 0.053 Uiso 1 1 calc R U . . .
H7C H 0.591897 0.070574 0.430873 0.053 Uiso 1 1 calc R U . . .
C8 C 0.40248(13) 0.01768(5) 0.13713(9) 0.0341(2) Uani 1 1 d . . . . .
H8A H 0.323471 0.032941 0.088254 0.051 Uiso 1 1 calc R U . . .
H8B H 0.393074 -0.031220 0.157659 0.051 Uiso 1 1 calc R U . . .
H8C H 0.479794 0.023305 0.094489 0.051 Uiso 1 1 calc R U . . .
C9 C 0.27964(9) 0.05795(5) 0.35722(9) 0.02635(16) Uani 1 1 d . . . . .
H9A H 0.290399 0.086706 0.427385 0.040 Uiso 1 1 calc R U . . .
H9B H 0.274569 0.009051 0.379282 0.040 Uiso 1 1 calc R U . . .
H9C H 0.198458 0.071209 0.309482 0.040 Uiso 1 1 calc R U . . .
C10 C 0.74277(10) 0.38798(5) 0.32184(9) 0.02775(17) Uani 1 1 d . . . . .
H10A H 0.751525 0.359865 0.392774 0.042 Uiso 1 1 calc R U . . .
H10B H 0.773515 0.435218 0.340291 0.042 Uiso 1 1 calc R U . . .
H10C H 0.795925 0.367544 0.264850 0.042 Uiso 1 1 calc R U . . .
C11 C 0.55495(10) 0.43494(5) 0.11607(8) 0.02735(17) Uani 1 1 d . . . . .
H11A H 0.594110 0.405439 0.059956 0.041 Uiso 1 1 calc R U . . .
H11B H 0.602497 0.479112 0.123883 0.041 Uiso 1 1 calc R U . . .
H11C H 0.462209 0.443615 0.088788 0.041 Uiso 1 1 calc R U . . .
C12 C 0.47372(11) 0.43862(5) 0.36613(8) 0.02847(18) Uani 1 1 d . . . . .
H12A H 0.380285 0.440944 0.336415 0.043 Uiso 1 1 calc R U . . .
H12B H 0.509184 0.485687 0.376383 0.043 Uiso 1 1 calc R U . . .
H12C H 0.483186 0.414436 0.441014 0.043 Uiso 1 1 calc R U . . .
C13 C 0.81685(12) 0.17058(6) 0.27744(13) 0.0195(2) Uani 0.738(3) 1 d . . P A 1
H13 H 0.781184 0.147978 0.345304 0.023 Uiso 0.738(3) 1 calc R U P A 1
C13B C 0.8461(3) 0.18304(19) 0.2386(4) 0.0194(6) Uani 0.262(3) 1 d . . P A 2
H13B H 0.891231 0.183394 0.166022 0.023 Uiso 0.262(3) 1 calc R U P A 2
C14 C 0.92279(9) 0.22367(6) 0.32773(9) 0.02930(18) Uani 1 1 d . . . . .
H14A H 0.953385 0.250718 0.264124 0.044 Uiso 0.738(3) 1 calc R U P A 1
H14B H 0.997382 0.198810 0.368957 0.044 Uiso 0.738(3) 1 calc R U P A 1
H14C H 0.884278 0.254887 0.381776 0.044 Uiso 0.738(3) 1 calc R U P A 1
H14D H 0.945150 0.268527 0.295260 0.044 Uiso 0.262(3) 1 calc R U P A 2
H14E H 1.003891 0.198675 0.354692 0.044 Uiso 0.262(3) 1 calc R U P A 2
H14F H 0.870923 0.231146 0.393226 0.044 Uiso 0.262(3) 1 calc R U P A 2
C15 C 0.87542(12) 0.11309(6) 0.20849(12) 0.0247(3) Uani 0.738(3) 1 d . . P A 1
H15A H 0.806667 0.079301 0.183014 0.037 Uiso 0.738(3) 1 calc R U P A 1
H15B H 0.946331 0.089953 0.257719 0.037 Uiso 0.738(3) 1 calc R U P A 1
H15C H 0.910901 0.133061 0.140428 0.037 Uiso 0.738(3) 1 calc R U P A 1
C15B C 0.8427(4) 0.1090(2) 0.2849(4) 0.0304(9) Uani 0.262(3) 1 d . . P A 2
H15D H 0.800906 0.108737 0.357356 0.046 Uiso 0.262(3) 1 calc R U P A 2
H15E H 0.932869 0.091230 0.299829 0.046 Uiso 0.262(3) 1 calc R U P A 2
H15F H 0.792209 0.079560 0.227325 0.046 Uiso 0.262(3) 1 calc R U P A 2
C16 C 0.68618(8) 0.22152(4) 0.08438(8) 0.02192(14) Uani 1 1 d . . . . .
H16 H 0.606184 0.251581 0.071109 0.026 Uiso 1 1 calc R U . . .
C17 C 0.79879(14) 0.26352(6) 0.04290(12) 0.0448(3) Uani 1 1 d . . . . .
H17A H 0.812932 0.305454 0.090377 0.067 Uiso 1 1 calc R U . . .
H17B H 0.776444 0.276570 -0.038641 0.067 Uiso 1 1 calc R U . . .
H17C H 0.879368 0.235528 0.050293 0.067 Uiso 1 1 calc R U . . .
C18 C 0.65709(11) 0.15777(6) 0.00865(8) 0.03144(19) Uani 1 1 d . . . . .
H18A H 0.736864 0.129414 0.009617 0.047 Uiso 1 1 calc R U . . .
H18B H 0.628585 0.172257 -0.071223 0.047 Uiso 1 1 calc R U . . .
H18C H 0.587063 0.130560 0.038768 0.047 Uiso 1 1 calc R U . . .
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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 '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
O1 P1 N1 111.03(4) . . ?
O1 P1 C4 115.15(4) . . ?
N1 P1 C4 109.14(4) . . ?
O1 P1 C1 113.58(4) . . ?
N1 P1 C1 111.72(3) . . ?
C4 P1 C1 95.30(3) . . ?
C7 Si1 C8 108.19(6) . . ?
C7 Si1 C9 107.72(5) . . ?
C8 Si1 C9 109.77(5) . . ?
C7 Si1 C1 110.14(4) . . ?
C8 Si1 C1 111.99(4) . . ?
C9 Si1 C1 108.94(4) . . ?
C10 Si2 C11 108.67(5) . . ?
C10 Si2 C12 107.23(5) . . ?
C11 Si2 C12 111.60(5) . . ?
C10 Si2 C4 111.14(4) . . ?
C11 Si2 C4 108.95(4) . . ?
C12 Si2 C4 109.26(4) . . ?
C16 N1 C13 127.44(8) . . ?
C16 N1 C13B 106.47(17) . . ?
C16 N1 P1 118.40(5) . . ?
C13 N1 P1 113.36(8) . . ?
C13B N1 P1 135.12(17) . . ?
C2 C1 P1 106.87(5) . . ?
C2 C1 Si1 126.00(6) . . ?
P1 C1 Si1 126.34(4) . . ?
C1 C2 C5 126.08(7) . . ?
C1 C2 C3 115.35(6) . . ?
C5 C2 C3 118.54(7) . . ?
C4 C3 C6 126.18(7) . . ?
C4 C3 C2 115.27(6) . . ?
C6 C3 C2 118.51(7) . . ?
C3 C4 P1 107.04(5) . . ?
C3 C4 Si2 126.14(5) . . ?
P1 C4 Si2 126.50(4) . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 C15 113.39(10) . . ?
N1 C13 C14 110.31(9) . . ?
C15 C13 C14 112.26(10) . . ?
N1 C13 H13 106.8 . . ?
C15 C13 H13 106.8 . . ?
C14 C13 H13 106.8 . . ?
C14 C13B N1 114.4(2) . . ?
C14 C13B C15B 106.6(3) . . ?
N1 C13B C15B 107.8(3) . . ?
C14 C13B H13B 109.3 . . ?
N1 C13B H13B 109.3 . . ?
C15B C13B H13B 109.3 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13B C14 H14D 109.5 . . ?
C13B C14 H14E 109.5 . . ?
H14D C14 H14E 109.5 . . ?
C13B C14 H14F 109.5 . . ?
H14D C14 H14F 109.5 . . ?
H14E C14 H14F 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13B C15B H15D 109.5 . . ?
C13B C15B H15E 109.5 . . ?
H15D C15B H15E 109.5 . . ?
C13B C15B H15F 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
N1 C16 C18 114.58(7) . . ?
N1 C16 C17 112.95(9) . . ?
C18 C16 C17 110.85(8) . . ?
N1 C16 H16 105.9 . . ?
C18 C16 H16 105.9 . . ?
C17 C16 H16 105.9 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
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
P1 O1 1.4877(6) . ?
P1 N1 1.6629(7) . ?
P1 C4 1.8047(7) . ?
P1 C1 1.8119(7) . ?
Si1 C7 1.8632(11) . ?
Si1 C8 1.8668(10) . ?
Si1 C9 1.8689(9) . ?
Si1 C1 1.8746(7) . ?
Si2 C10 1.8652(10) . ?
Si2 C11 1.8686(9) . ?
Si2 C12 1.8727(9) . ?
Si2 C4 1.8727(7) . ?
N1 C16 1.4791(11) . ?
N1 C13 1.4939(13) . ?
N1 C13B 1.523(3) . ?
C1 C2 1.3534(10) . ?
C2 C5 1.5000(11) . ?
C2 C3 1.5138(10) . ?
C3 C4 1.3542(10) . ?
C3 C6 1.4996(11) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C15 1.5248(17) . ?
C13 C14 1.5567(15) . ?
C13 H13 1.0000 . ?
C13B C14 1.456(3) . ?
C13B C15B 1.527(5) . ?
C13B H13B 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14 H14D 0.9800 . ?
C14 H14E 0.9800 . ?
C14 H14F 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C15B H15F 0.9800 . ?
C16 C18 1.5211(13) . ?
C16 C17 1.5247(13) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
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
O1 P1 N1 C16 -169.69(6) . . . . ?
C4 P1 N1 C16 -41.70(7) . . . . ?
C1 P1 N1 C16 62.39(7) . . . . ?
O1 P1 N1 C13 19.82(8) . . . . ?
C4 P1 N1 C13 147.81(7) . . . . ?
C1 P1 N1 C13 -108.09(7) . . . . ?
O1 P1 N1 C13B 9.1(2) . . . . ?
C4 P1 N1 C13B 137.1(2) . . . . ?
C1 P1 N1 C13B -118.9(2) . . . . ?
O1 P1 C1 C2 119.73(6) . . . . ?
N1 P1 C1 C2 -113.73(5) . . . . ?
C4 P1 C1 C2 -0.69(6) . . . . ?
O1 P1 C1 Si1 -50.53(6) . . . . ?
N1 P1 C1 Si1 76.01(5) . . . . ?
C4 P1 C1 Si1 -170.95(5) . . . . ?
C7 Si1 C1 C2 -168.11(7) . . . . ?
C8 Si1 C1 C2 71.46(8) . . . . ?
C9 Si1 C1 C2 -50.16(8) . . . . ?
C7 Si1 C1 P1 0.35(7) . . . . ?
C8 Si1 C1 P1 -120.09(6) . . . . ?
C9 Si1 C1 P1 118.29(5) . . . . ?
P1 C1 C2 C5 -179.62(6) . . . . ?
Si1 C1 C2 C5 -9.32(11) . . . . ?
P1 C1 C2 C3 -1.71(8) . . . . ?
Si1 C1 C2 C3 168.58(5) . . . . ?
C1 C2 C3 C4 4.40(9) . . . . ?
C5 C2 C3 C4 -177.53(7) . . . . ?
C1 C2 C3 C6 -173.53(7) . . . . ?
C5 C2 C3 C6 4.54(10) . . . . ?
C6 C3 C4 P1 173.24(6) . . . . ?
C2 C3 C4 P1 -4.50(8) . . . . ?
C6 C3 C4 Si2 -0.59(11) . . . . ?
C2 C3 C4 Si2 -178.33(5) . . . . ?
O1 P1 C4 C3 -116.12(6) . . . . ?
N1 P1 C4 C3 118.24(5) . . . . ?
C1 P1 C4 C3 3.05(6) . . . . ?
O1 P1 C4 Si2 57.68(6) . . . . ?
N1 P1 C4 Si2 -67.96(5) . . . . ?
C1 P1 C4 Si2 176.85(5) . . . . ?
C10 Si2 C4 C3 179.66(7) . . . . ?
C11 Si2 C4 C3 -60.63(8) . . . . ?
C12 Si2 C4 C3 61.52(8) . . . . ?
C10 Si2 C4 P1 7.00(6) . . . . ?
C11 Si2 C4 P1 126.71(5) . . . . ?
C12 Si2 C4 P1 -111.13(6) . . . . ?
C16 N1 C13 C15 -33.35(16) . . . . ?
P1 N1 C13 C15 136.10(10) . . . . ?
C16 N1 C13 C14 93.54(12) . . . . ?
P1 N1 C13 C14 -97.02(11) . . . . ?
C16 N1 C13B C14 123.7(3) . . . . ?
P1 N1 C13B C14 -55.1(4) . . . . ?
C16 N1 C13B C15B -118.0(3) . . . . ?
P1 N1 C13B C15B 63.2(3) . . . . ?
C13 N1 C16 C18 70.10(12) . . . . ?
C13B N1 C16 C18 82.03(16) . . . . ?
P1 N1 C16 C18 -98.88(8) . . . . ?
C13 N1 C16 C17 -58.12(12) . . . . ?
C13B N1 C16 C17 -46.19(17) . . . . ?
P1 N1 C16 C17 132.89(8) . . . . ?
