#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/14/7001433.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_7001433
loop_
_publ_author_name
'Mills, David P.'
'Cooper, Oliver J.'
'McMaster, Jonathan'
'Lewis, William'
'Liddle, Stephen T.'
_publ_section_title
;
 Synthesis and reactivity of the yttrium-alkyl-carbene complex
 [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})
;
_journal_issue                   23
_journal_name_full               'Dalton Transactions'
_journal_page_first              4547
_journal_page_last               4555
_journal_paper_doi               10.1039/b902079a
_journal_year                    2009
_chemical_formula_moiety         'C54 H63 N2 O P2 Si2 Y, 0.5(C4 H10 O)'
_chemical_formula_sum            'C56 H68 N4 O1.5 P2 Si2 Y'
_chemical_formula_weight         1028.17
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   'geom, Me from difmap'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'enCIFer editing of SHELXL97 CIF output'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.719(2)
_cell_length_b                   19.171(2)
_cell_length_c                   25.914(3)
_cell_measurement_reflns_used    3187
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      2.30
_cell_volume                     10790(2)
_computing_cell_refinement       'Bruker SAINT version 6.36a (Bruker, 2000)'
_computing_data_collection       'Bruker SMART version 5.625 (Bruker, 2001)'
_computing_data_reduction        'Bruker SAINT; Bruker SHELXTL (Bruker, 2001)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material
'enCIFer(Allen et al.,2004);PLATON(Spek,2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1355
_diffrn_reflns_av_sigmaI/netI    0.1014
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            54011
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.12
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.227
_exptl_absorpt_correction_T_max  0.85
_exptl_absorpt_correction_T_min  0.65
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4328
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.535
_refine_diff_density_min         -0.479
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     628
_refine_ls_number_reflns         9557
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.1251
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0612P)²+4.8784P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1117
_refine_ls_wR_factor_ref         0.1428
_reflns_number_gt                5374
_reflns_number_total             9557
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b902079a.txt
_cod_data_source_block           yccphn
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C56 H68 N4 O1.50 P2 Si2 Y'
_cod_database_code               7001433
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.15828(2) 0.76556(2) 0.149172(17) 0.02670(13) Uani 1 1 d . . .
N1 N 0.20876(16) 0.75148(19) 0.22831(14) 0.0297(9) Uani 1 1 d . . .
P1 P 0.26636(6) 0.80117(7) 0.21187(5) 0.0301(3) Uani 1 1 d . . .
C1 C 0.2480(2) 0.8389(2) 0.15566(17) 0.0296(11) Uani 1 1 d . . .
P2 P 0.26515(6) 0.82466(7) 0.09367(5) 0.0295(3) Uani 1 1 d . . .
N2 N 0.21294(16) 0.77273(19) 0.06938(14) 0.0301(9) Uani 1 1 d . . .
C2 C 0.3371(2) 0.7503(3) 0.21145(17) 0.0340(12) Uani 1 1 d . . .
C3 C 0.3356(2) 0.6783(3) 0.21090(17) 0.0391(13) Uani 1 1 d . . .
H3A H 0.2970 0.6550 0.2126 0.047 Uiso 1 1 calc R . .
C4 C 0.3894(3) 0.6393(3) 0.20783(19) 0.0484(15) Uani 1 1 d . . .
H4A H 0.3873 0.5898 0.2069 0.058 Uiso 1 1 calc R . .
C5 C 0.4450(3) 0.6717(4) 0.2061(2) 0.0546(16) Uani 1 1 d . . .
H5A H 0.4818 0.6449 0.2045 0.066 Uiso 1 1 calc R . .
C6 C 0.4480(2) 0.7433(4) 0.20669(19) 0.0500(16) Uani 1 1 d . . .
H6A H 0.4870 0.7658 0.2051 0.060 Uiso 1 1 calc R . .
C7 C 0.3944(2) 0.7833(3) 0.20956(18) 0.0399(13) Uani 1 1 d . . .
H7A H 0.3969 0.8328 0.2102 0.048 Uiso 1 1 calc R . .
C8 C 0.2798(2) 0.8661(3) 0.26232(19) 0.0370(13) Uani 1 1 d . . .
C9 C 0.2530(2) 0.9312(3) 0.2575(2) 0.0475(14) Uani 1 1 d . . .
H9A H 0.2307 0.9427 0.2271 0.057 Uiso 1 1 calc R . .
C10 C 0.2586(3) 0.9799(3) 0.2970(2) 0.0616(17) Uani 1 1 d . . .
H10A H 0.2401 1.0246 0.2935 0.074 Uiso 1 1 calc R . .
C11 C 0.2908(3) 0.9636(4) 0.3411(3) 0.069(2) Uani 1 1 d . . .
H11A H 0.2946 0.9971 0.3679 0.082 Uiso 1 1 calc R . .
C12 C 0.3172(3) 0.8995(4) 0.3463(2) 0.0564(17) Uani 1 1 d . . .
H12A H 0.3392 0.8885 0.3770 0.068 Uiso 1 1 calc R . .
C13 C 0.3124(2) 0.8500(3) 0.3074(2) 0.0469(14) Uani 1 1 d . . .
H13A H 0.3311 0.8055 0.3113 0.056 Uiso 1 1 calc R . .
C14 C 0.2619(2) 0.9051(3) 0.05666(19) 0.0334(12) Uani 1 1 d . . .
C15 C 0.2237(2) 0.9582(3) 0.0726(2) 0.0423(14) Uani 1 1 d . . .
H15A H 0.2037 0.9549 0.1051 0.051 Uiso 1 1 calc R . .
C16 C 0.2138(3) 1.0170(3) 0.0418(3) 0.0578(17) Uani 1 1 d . . .
H16A H 0.1871 1.0531 0.0532 0.069 Uiso 1 1 calc R . .
C17 C 0.2431(3) 1.0223(3) -0.0056(3) 0.0582(17) Uani 1 1 d . . .
H17A H 0.2365 1.0622 -0.0267 0.070 Uiso 1 1 calc R . .
C18 C 0.2814(3) 0.9707(3) -0.0220(2) 0.0591(17) Uani 1 1 d . . .
H18A H 0.3014 0.9745 -0.0545 0.071 Uiso 1 1 calc R . .
C19 C 0.2911(2) 0.9123(3) 0.0088(2) 0.0473(15) Uani 1 1 d . . .
H19A H 0.3182 0.8767 -0.0028 0.057 Uiso 1 1 calc R . .
C20 C 0.3426(2) 0.7919(3) 0.08188(18) 0.0337(12) Uani 1 1 d . . .
C21 C 0.3931(2) 0.8356(3) 0.0826(2) 0.0481(14) Uani 1 1 d . . .
H21A H 0.3875 0.8844 0.0871 0.058 Uiso 1 1 calc R . .
C22 C 0.4524(3) 0.8085(4) 0.0767(2) 0.0570(17) Uani 1 1 d . . .
H22A H 0.4870 0.8387 0.0767 0.068 Uiso 1 1 calc R . .
C23 C 0.4602(3) 0.7375(4) 0.0709(2) 0.0576(17) Uani 1 1 d . . .
H23A H 0.5006 0.7190 0.0675 0.069 Uiso 1 1 calc R . .
C24 C 0.4110(3) 0.6936(3) 0.0699(2) 0.0512(16) Uani 1 1 d . . .
H24A H 0.4167 0.6448 0.0654 0.061 Uiso 1 1 calc R . .
C25 C 0.3524(2) 0.7210(3) 0.07558(18) 0.0407(14) Uani 1 1 d . . .
H25A H 0.3180 0.6904 0.0751 0.049 Uiso 1 1 calc R . .
Si1 Si 0.18257(6) 0.72248(7) 0.28742(5) 0.0341(3) Uani 1 1 d . . .
C26 C 0.1492(3) 0.7932(3) 0.3281(2) 0.0506(15) Uani 1 1 d . . .
H26A H 0.1804 0.8295 0.3338 0.076 Uiso 1 1 calc R . .
H26B H 0.1363 0.7739 0.3613 0.076 Uiso 1 1 calc R . .
H26C H 0.1136 0.8136 0.3104 0.076 Uiso 1 1 calc R . .
C27 C 0.1200(2) 0.6585(3) 0.2751(2) 0.0508(15) Uani 1 1 d . . .
H27A H 0.0877 0.6805 0.2544 0.076 Uiso 1 1 calc R . .
H27B H 0.1026 0.6429 0.3081 0.076 Uiso 1 1 calc R . .
H27C H 0.1367 0.6183 0.2564 0.076 Uiso 1 1 calc R . .
C28 C 0.2426(2) 0.6781(3) 0.32707(18) 0.0429(14) Uani 1 1 d . . .
H28A H 0.2668 0.7132 0.3457 0.064 Uiso 1 1 calc R . .
H28B H 0.2698 0.6511 0.3045 0.064 Uiso 1 1 calc R . .
H28C H 0.2228 0.6468 0.3519 0.064 Uiso 1 1 calc R . .
Si2 Si 0.19577(6) 0.75129(7) 0.00654(5) 0.0348(4) Uani 1 1 d . . .
C29 C 0.1373(2) 0.6809(3) 0.0085(2) 0.0505(15) Uani 1 1 d . . .
H29A H 0.1007 0.6976 0.0268 0.076 Uiso 1 1 calc R . .
H29B H 0.1543 0.6403 0.0266 0.076 Uiso 1 1 calc R . .
H29C H 0.1261 0.6676 -0.0267 0.076 Uiso 1 1 calc R . .
C30 C 0.2626(2) 0.7192(3) -0.03225(19) 0.0428(14) Uani 1 1 d . . .
H30A H 0.2832 0.6813 -0.0136 0.064 Uiso 1 1 calc R . .
H30B H 0.2918 0.7575 -0.0378 0.064 Uiso 1 1 calc R . .
H30C H 0.2480 0.7019 -0.0657 0.064 Uiso 1 1 calc R . .
C31 C 0.1616(2) 0.8246(3) -0.03227(19) 0.0486(14) Uani 1 1 d . . .
H31A H 0.1267 0.8447 -0.0135 0.073 Uiso 1 1 calc R . .
H31B H 0.1475 0.8067 -0.0657 0.073 Uiso 1 1 calc R . .
H31C H 0.1929 0.8607 -0.0379 0.073 Uiso 1 1 calc R . .
N3 N 0.05310(17) 0.8097(2) 0.11627(14) 0.0308(10) Uani 1 1 d . . .
N4 N 0.07690(17) 0.8299(2) 0.16623(14) 0.0317(10) Uani 1 1 d . . .
C32 C 0.0630(2) 0.8618(3) 0.07463(18) 0.0358(12) Uani 1 1 d . . .
H32A H 0.0571 0.8381 0.0411 0.043 Uiso 1 1 calc R . .
H32B H 0.1064 0.8775 0.0762 0.043 Uiso 1 1 calc R . .
C33 C 0.0222(2) 0.9260(3) 0.07540(18) 0.0343(12) Uani 1 1 d . . .
C34 C -0.0343(2) 0.9270(3) 0.0509(2) 0.0448(14) Uani 1 1 d . . .
H34A H -0.0472 0.8874 0.0316 0.054 Uiso 1 1 calc R . .
C35 C -0.0725(3) 0.9847(3) 0.0538(2) 0.0559(17) Uani 1 1 d . . .
H35A H -0.1112 0.9845 0.0366 0.067 Uiso 1 1 calc R . .
C36 C -0.0548(3) 1.0414(3) 0.0810(2) 0.0596(17) Uani 1 1 d . . .
H36A H -0.0817 1.0803 0.0839 0.072 Uiso 1 1 calc R . .
C37 C 0.0032(3) 1.0431(3) 0.1052(2) 0.0558(17) Uani 1 1 d . . .
H37A H 0.0164 1.0831 0.1237 0.067 Uiso 1 1 calc R . .
C38 C 0.0403(3) 0.9849(3) 0.1011(2) 0.0450(14) Uani 1 1 d . . .
H38A H 0.0799 0.9858 0.1167 0.054 Uiso 1 1 calc R . .
C39 C 0.0006(2) 0.7654(3) 0.11408(17) 0.0308(11) Uani 1 1 d . . .
C40 C -0.0249(2) 0.7450(3) 0.06680(19) 0.0398(13) Uani 1 1 d . . .
H40A H -0.0085 0.7630 0.0356 0.048 Uiso 1 1 calc R . .
C41 C -0.0739(2) 0.6987(3) 0.0650(2) 0.0447(14) Uani 1 1 d . . .
H41A H -0.0904 0.6851 0.0326 0.054 Uiso 1 1 calc R . .
C42 C -0.0988(2) 0.6724(3) 0.1097(2) 0.0487(15) Uani 1 1 d . . .
H42A H -0.1330 0.6416 0.1084 0.058 Uiso 1 1 calc R . .
C43 C -0.0734(2) 0.6913(3) 0.1563(2) 0.0436(14) Uani 1 1 d . . .
H43A H -0.0898 0.6722 0.1872 0.052 Uiso 1 1 calc R . .
C44 C -0.0246(2) 0.7375(3) 0.15907(18) 0.0357(12) Uani 1 1 d . . .
H44A H -0.0082 0.7503 0.1917 0.043 Uiso 1 1 calc R . .
C45 C 0.0453(2) 0.8798(2) 0.19563(18) 0.0318(12) Uani 1 1 d . . .
C46 C 0.0811(2) 0.9131(3) 0.2337(2) 0.0434(14) Uani 1 1 d . . .
H46A H 0.1230 0.9001 0.2382 0.052 Uiso 1 1 calc R . .
C47 C 0.0559(3) 0.9642(3) 0.2644(2) 0.0597(17) Uani 1 1 d . . .
H47A H 0.0808 0.9867 0.2895 0.072 Uiso 1 1 calc R . .
C48 C -0.0049(3) 0.9832(3) 0.2590(2) 0.0601(17) Uani 1 1 d . . .
H48A H -0.0220 1.0186 0.2803 0.072 Uiso 1 1 calc R . .
C49 C -0.0404(2) 0.9502(3) 0.2225(2) 0.0458(14) Uani 1 1 d . . .
H49A H -0.0823 0.9634 0.2186 0.055 Uiso 1 1 calc R . .
C50 C -0.0168(2) 0.8986(3) 0.19136(19) 0.0340(12) Uani 1 1 d . . .
H50A H -0.0426 0.8758 0.1670 0.041 Uiso 1 1 calc R . .
O1 O 0.13860(15) 0.64424(16) 0.14183(12) 0.0372(8) Uani 1 1 d . . .
C51 C 0.0815(2) 0.6059(3) 0.1318(2) 0.0491(15) Uani 1 1 d . . .
H51A H 0.0589 0.6272 0.1027 0.059 Uiso 1 1 calc R . .
H51B H 0.0547 0.6066 0.1627 0.059 Uiso 1 1 calc R . .
C52 C 0.0994(3) 0.5330(3) 0.1191(2) 0.0614(17) Uani 1 1 d . . .
H52A H 0.1120 0.5284 0.0825 0.074 Uiso 1 1 calc R . .
H52B H 0.0658 0.4997 0.1266 0.074 Uiso 1 1 calc R . .
C53 C 0.1551(3) 0.5234(3) 0.1566(2) 0.0623(17) Uani 1 1 d . . .
H53A H 0.1411 0.5164 0.1926 0.075 Uiso 1 1 calc R . .
H53B H 0.1814 0.4837 0.1461 0.075 Uiso 1 1 calc R . .
C54 C 0.1884(3) 0.5926(3) 0.1502(3) 0.0659(19) Uani 1 1 d . . .
H54A H 0.2124 0.6041 0.1816 0.079 Uiso 1 1 calc R . .
H54B H 0.2166 0.5911 0.1202 0.079 Uiso 1 1 calc R . .
C55 C 0.5868(9) 0.9524(10) 0.1034(6) 0.118(7) Uani 0.50 1 d P . .
H55A H 0.6201 0.9756 0.1223 0.176 Uiso 0.50 1 calc PR A 1
H55B H 0.6030 0.9108 0.0861 0.176 Uiso 0.50 1 calc PR A 1
H55C H 0.5543 0.9387 0.1276 0.176 Uiso 0.50 1 calc PR A 1
C56 C 0.5622(11) 0.9986(13) 0.0662(11) 0.122(11) Uani 0.50 1 d P B 1
H56A H 0.5491 1.0417 0.0842 0.146 Uiso 0.50 1 calc PR B 1
H56B H 0.5958 1.0117 0.0422 0.146 Uiso 0.50 1 calc PR B 1
O2 O 0.5148(10) 0.9755(8) 0.0382(8) 0.099(5) Uani 0.50 1 d P . 1
C57 C 0.4989(10) 1.0277(8) 0.0000(12) 0.089(6) Uani 0.50 1 d P C 1
H57A H 0.5357 1.0410 -0.0203 0.107 Uiso 0.50 1 calc PR C 1
H57B H 0.4823 1.0699 0.0170 0.107 Uiso 0.50 1 calc PR C 1
C58 C 0.4512(17) 0.995(3) -0.0342(15) 0.156(17) Uani 0.50 1 d P C 1
H58A H 0.4329 1.0314 -0.0562 0.234 Uiso 0.50 1 calc PR C 1
H58B H 0.4191 0.9738 -0.0130 0.234 Uiso 0.50 1 calc PR C 1
H58C H 0.4705 0.9596 -0.0559 0.234 Uiso 0.50 1 calc PR C 1
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'
Y Y -2.7962 3.5667 '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
N4 Y1 N1 105.35(13) . . ?
N4 Y1 O1 114.90(13) . . ?
N1 Y1 O1 92.38(12) . . ?
N4 Y1 N2 122.75(13) . . ?
N1 Y1 N2 122.16(12) . . ?
O1 Y1 N2 94.39(12) . . ?
N4 Y1 C1 107.98(14) . . ?
N1 Y1 C1 68.11(14) . . ?
O1 Y1 C1 136.33(13) . . ?
N2 Y1 C1 67.96(14) . . ?
N4 Y1 N3 34.06(12) . . ?
N1 Y1 N3 137.87(12) . . ?
O1 Y1 N3 97.80(12) . . ?
N2 Y1 N3 97.77(12) . . ?
C1 Y1 N3 123.22(14) . . ?
N4 Y1 P1 113.62(10) . . ?
N1 Y1 P1 33.63(9) . . ?
O1 Y1 P1 114.61(8) . . ?
N2 Y1 P1 93.92(9) . . ?
C1 Y1 P1 34.78(11) . . ?
N3 Y1 P1 144.52(9) . . ?
N4 Y1 P2 120.90(11) . . ?
N1 Y1 P2 95.89(9) . . ?
O1 Y1 P2 118.57(8) . . ?
N2 Y1 P2 33.53(9) . . ?
C1 Y1 P2 34.42(11) . . ?
N3 Y1 P2 114.11(9) . . ?
P1 Y1 P2 63.41(4) . . ?
P1 N1 Si1 132.3(2) . . ?
P1 N1 Y1 93.62(17) . . ?
Si1 N1 Y1 131.32(19) . . ?
N1 P1 C1 107.3(2) . . ?
N1 P1 C2 109.7(2) . . ?
C1 P1 C2 115.3(2) . . ?
N1 P1 C8 109.5(2) . . ?
C1 P1 C8 111.5(2) . . ?
C2 P1 C8 103.5(2) . . ?
N1 P1 Y1 52.75(13) . . ?
C1 P1 Y1 55.13(16) . . ?
C2 P1 Y1 123.20(15) . . ?
C8 P1 Y1 132.97(17) . . ?
P2 C1 P1 135.5(3) . . ?
P2 C1 Y1 91.0(2) . . ?
P1 C1 Y1 90.1(2) . . ?
N2 P2 C1 108.3(2) . . ?
N2 P2 C14 106.6(2) . . ?
C1 P2 C14 111.1(2) . . ?
N2 P2 C20 111.5(2) . . ?
C1 P2 C20 115.0(2) . . ?
C14 P2 C20 103.9(2) . . ?
N2 P2 Y1 53.80(13) . . ?
C1 P2 Y1 54.54(16) . . ?
C14 P2 Y1 123.46(16) . . ?
C20 P2 Y1 132.44(16) . . ?
P2 N2 Si2 131.3(2) . . ?
P2 N2 Y1 92.66(16) . . ?
Si2 N2 Y1 134.3(2) . . ?
C3 C2 C7 118.3(5) . . ?
C3 C2 P1 121.0(4) . . ?
C7 C2 P1 120.6(4) . . ?
C2 C3 C4 121.3(5) . . ?
C2 C3 H3A 119.4 . . ?
C4 C3 H3A 119.4 . . ?
C5 C4 C3 120.1(6) . . ?
C5 C4 H4A 119.9 . . ?
C3 C4 H4A 119.9 . . ?
C4 C5 C6 119.9(5) . . ?
C4 C5 H5A 120.0 . . ?
C6 C5 H5A 120.0 . . ?
C5 C6 C7 120.6(5) . . ?
C5 C6 H6A 119.7 . . ?
C7 C6 H6A 119.7 . . ?
C2 C7 C6 119.7(5) . . ?
C2 C7 H7A 120.1 . . ?
C6 C7 H7A 120.1 . . ?
C9 C8 C13 119.2(5) . . ?
C9 C8 P1 118.9(4) . . ?
C13 C8 P1 121.8(4) . . ?
C8 C9 C10 120.2(6) . . ?
C8 C9 H9A 119.9 . . ?
C10 C9 H9A 119.9 . . ?
C11 C10 C9 120.2(6) . . ?
C11 C10 H10A 119.9 . . ?
C9 C10 H10A 119.9 . . ?
C12 C11 C10 120.1(6) . . ?
C12 C11 H11A 120.0 . . ?
C10 C11 H11A 120.0 . . ?
C11 C12 C13 120.8(6) . . ?
C11 C12 H12A 119.6 . . ?
C13 C12 H12A 119.6 . . ?
C12 C13 C8 119.5(6) . . ?
C12 C13 H13A 120.2 . . ?
C8 C13 H13A 120.2 . . ?
C15 C14 C19 117.7(5) . . ?
C15 C14 P2 119.6(4) . . ?
C19 C14 P2 122.3(4) . . ?
C14 C15 C16 121.2(6) . . ?
C14 C15 H15A 119.4 . . ?
C16 C15 H15A 119.4 . . ?
C17 C16 C15 119.6(6) . . ?
C17 C16 H16A 120.2 . . ?
C15 C16 H16A 120.2 . . ?
C18 C17 C16 120.3(5) . . ?
C18 C17 H17A 119.9 . . ?
C16 C17 H17A 119.9 . . ?
C17 C18 C19 120.0(6) . . ?
C17 C18 H18A 120.0 . . ?
C19 C18 H18A 120.0 . . ?
C18 C19 C14 121.2(5) . . ?
C18 C19 H19A 119.4 . . ?
C14 C19 H19A 119.4 . . ?
C21 C20 C25 118.4(5) . . ?
C21 C20 P2 121.5(4) . . ?
C25 C20 P2 119.9(4) . . ?
C20 C21 C22 120.4(5) . . ?
C20 C21 H21A 119.8 . . ?
C22 C21 H21A 119.8 . . ?
C23 C22 C21 119.5(6) . . ?
C23 C22 H22A 120.3 . . ?
C21 C22 H22A 120.3 . . ?
C24 C23 C22 121.0(5) . . ?
C24 C23 H23A 119.5 . . ?
C22 C23 H23A 119.5 . . ?
C23 C24 C25 119.0(6) . . ?
C23 C24 H24A 120.5 . . ?
C25 C24 H24A 120.5 . . ?
C24 C25 C20 121.7(5) . . ?
C24 C25 H25A 119.2 . . ?
C20 C25 H25A 119.2 . . ?
N1 Si1 C27 107.5(2) . . ?
N1 Si1 C26 113.3(2) . . ?
C27 Si1 C26 107.1(3) . . ?
N1 Si1 C28 113.9(2) . . ?
C27 Si1 C28 107.7(3) . . ?
C26 Si1 C28 107.0(2) . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si1 C27 H27A 109.5 . . ?
Si1 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si1 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N2 Si2 C29 107.2(2) . . ?
N2 Si2 C30 114.8(2) . . ?
C29 Si2 C30 107.9(2) . . ?
N2 Si2 C31 114.4(2) . . ?
C29 Si2 C31 106.8(3) . . ?
C30 Si2 C31 105.3(2) . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si2 C30 H30A 109.5 . . ?
Si2 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si2 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C39 N3 N4 118.8(3) . . ?
C39 N3 C32 119.2(4) . . ?
N4 N3 C32 114.7(4) . . ?
C39 N3 Y1 121.8(3) . . ?
N4 N3 Y1 58.40(19) . . ?
C32 N3 Y1 109.4(3) . . ?
C45 N4 N3 119.6(4) . . ?
C45 N4 Y1 152.2(3) . . ?
N3 N4 Y1 87.5(2) . . ?
N3 C32 C33 116.9(4) . . ?
N3 C32 H32A 108.1 . . ?
C33 C32 H32A 108.1 . . ?
N3 C32 H32B 108.1 . . ?
C33 C32 H32B 108.1 . . ?
H32A C32 H32B 107.3 . . ?
C38 C33 C34 117.8(5) . . ?
C38 C33 C32 120.5(5) . . ?
C34 C33 C32 121.6(5) . . ?
C33 C34 C35 121.3(5) . . ?
C33 C34 H34A 119.4 . . ?
C35 C34 H34A 119.4 . . ?
C36 C35 C34 120.0(6) . . ?
C36 C35 H35A 120.0 . . ?
C34 C35 H35A 120.0 . . ?
C35 C36 C37 120.4(6) . . ?
C35 C36 H36A 119.8 . . ?
C37 C36 H36A 119.8 . . ?
C38 C37 C36 118.1(6) . . ?
C38 C37 H37A 121.0 . . ?
C36 C37 H37A 121.0 . . ?
C33 C38 C37 122.4(5) . . ?
C33 C38 H38A 118.8 . . ?
C37 C38 H38A 118.8 . . ?
C44 C39 C40 117.9(5) . . ?
C44 C39 N3 120.7(4) . . ?
C40 C39 N3 121.3(4) . . ?
C41 C40 C39 120.8(5) . . ?
C41 C40 H40A 119.6 . . ?
C39 C40 H40A 119.6 . . ?
C42 C41 C40 120.7(5) . . ?
C42 C41 H41A 119.7 . . ?
C40 C41 H41A 119.7 . . ?
C41 C42 C43 119.0(5) . . ?
C41 C42 H42A 120.5 . . ?
C43 C42 H42A 120.5 . . ?
C42 C43 C44 121.4(5) . . ?
C42 C43 H43A 119.3 . . ?
C44 C43 H43A 119.3 . . ?
C43 C44 C39 120.2(5) . . ?
C43 C44 H44A 119.9 . . ?
C39 C44 H44A 119.9 . . ?
C50 C45 N4 127.2(4) . . ?
C50 C45 C46 118.0(4) . . ?
N4 C45 C46 114.8(4) . . ?
C47 C46 C45 120.6(5) . . ?
C47 C46 H46A 119.7 . . ?
C45 C46 H46A 119.7 . . ?
C46 C47 C48 120.7(6) . . ?
C46 C47 H47A 119.6 . . ?
C48 C47 H47A 119.6 . . ?
C49 C48 C47 119.1(5) . . ?
C49 C48 H48A 120.5 . . ?
C47 C48 H48A 120.5 . . ?
C50 C49 C48 121.7(5) . . ?
C50 C49 H49A 119.2 . . ?
C48 C49 H49A 119.2 . . ?
C49 C50 C45 119.9(5) . . ?
C49 C50 H50A 120.1 . . ?
C45 C50 H50A 120.1 . . ?
C51 O1 C54 107.9(4) . . ?
C51 O1 Y1 131.2(3) . . ?
C54 O1 Y1 120.8(3) . . ?
O1 C51 C52 106.8(4) . . ?
O1 C51 H51A 110.4 . . ?
C52 C51 H51A 110.4 . . ?
O1 C51 H51B 110.4 . . ?
C52 C51 H51B 110.4 . . ?
H51A C51 H51B 108.6 . . ?
C51 C52 C53 100.1(5) . . ?
C51 C52 H52A 111.8 . . ?
C53 C52 H52A 111.8 . . ?
C51 C52 H52B 111.8 . . ?
C53 C52 H52B 111.8 . . ?
H52A C52 H52B 109.5 . . ?
C54 C53 C52 101.3(5) . . ?
C54 C53 H53A 111.5 . . ?
C52 C53 H53A 111.5 . . ?
C54 C53 H53B 111.5 . . ?
C52 C53 H53B 111.5 . . ?
H53A C53 H53B 109.3 . . ?
O1 C54 C53 104.6(4) . . ?
O1 C54 H54A 110.8 . . ?
C53 C54 H54A 110.8 . . ?
O1 C54 H54B 110.8 . . ?
C53 C54 H54B 110.8 . . ?
H54A C54 H54B 108.9 . . ?
C56 C55 H55A 109.5 . . ?
C56 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C56 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O2 C56 C55 117.0(19) . . ?
O2 C56 H56A 108.1 . . ?
C55 C56 H56A 108.1 . . ?
O2 C56 H56B 108.1 . . ?
C55 C56 H56B 108.1 . . ?
H56A C56 H56B 107.3 . . ?
C58 O2 C57 99(4) 5_675 5_675 ?
C58 O2 C56 41(3) 5_675 . ?
C57 O2 C56 139(2) 5_675 . ?
C58 O2 C57 72(3) 5_675 . ?
C57 O2 C57 47(2) 5_675 . ?
C56 O2 C57 109.0(18) . . ?
O2 C57 C58 106.5(19) . . ?
O2 C57 H57A 110.4 . . ?
C58 C57 H57A 110.4 . . ?
O2 C57 H57B 110.4 . . ?
C58 C57 H57B 110.4 . . ?
H57A C57 H57B 108.6 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 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
Y1 N4 2.200(4) . ?
Y1 N1 2.341(4) . ?
Y1 O1 2.373(3) . ?
Y1 N2 2.388(4) . ?
Y1 C1 2.408(5) . ?
Y1 N3 2.581(4) . ?
Y1 P1 2.9353(13) . ?
Y1 P2 2.9563(13) . ?
N1 P1 1.629(4) . ?
N1 Si1 1.726(4) . ?
P1 C1 1.674(5) . ?
P1 C2 1.820(5) . ?
P1 C8 1.829(5) . ?
C1 P2 1.671(4) . ?
P2 N2 1.635(4) . ?
P2 C14 1.817(5) . ?
P2 C20 1.821(5) . ?
N2 Si2 1.721(4) . ?
C2 C3 1.381(7) . ?
C2 C7 1.396(6) . ?
C3 C4 1.390(6) . ?
C3 H3A 0.9500 . ?
C4 C5 1.360(7) . ?
C4 H4A 0.9500 . ?
C5 C6 1.375(8) . ?
C5 H5A 0.9500 . ?
C6 C7 1.397(7) . ?
C6 H6A 0.9500 . ?
C7 H7A 0.9500 . ?
C8 C9 1.383(7) . ?
C8 C13 1.401(7) . ?
C9 C10 1.389(7) . ?
C9 H9A 0.9500 . ?
C10 C11 1.377(8) . ?
C10 H10A 0.9500 . ?
C11 C12 1.364(9) . ?
C11 H11A 0.9500 . ?
C12 C13 1.389(7) . ?
C12 H12A 0.9500 . ?
C13 H13A 0.9500 . ?
C14 C15 1.378(7) . ?
C14 C19 1.400(7) . ?
C15 C16 1.397(7) . ?
C15 H15A 0.9500 . ?
C16 C17 1.387(8) . ?
C16 H16A 0.9500 . ?
C17 C18 1.360(8) . ?
C17 H17A 0.9500 . ?
C18 C19 1.392(7) . ?
C18 H18A 0.9500 . ?
C19 H19A 0.9500 . ?
C20 C21 1.379(7) . ?
C20 C25 1.386(7) . ?
C21 C22 1.397(7) . ?
C21 H21A 0.9500 . ?
C22 C23 1.379(8) . ?
C22 H22A 0.9500 . ?
C23 C24 1.362(8) . ?
C23 H23A 0.9500 . ?
C24 C25 1.385(7) . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9500 . ?
Si1 C27 1.859(5) . ?
Si1 C26 1.864(5) . ?
Si1 C28 1.866(5) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
Si2 C29 1.853(5) . ?
Si2 C30 1.870(5) . ?
Si2 C31 1.881(5) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
N3 C39 1.423(6) . ?
N3 N4 1.447(5) . ?
N3 C32 1.486(6) . ?
N4 C45 1.402(6) . ?
C32 C33 1.514(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C38 1.370(7) . ?
C33 C34 1.383(7) . ?
C34 C35 1.385(7) . ?
C34 H34A 0.9500 . ?
C35 C36 1.352(8) . ?
C35 H35A 0.9500 . ?
C36 C37 1.407(8) . ?
C36 H36A 0.9500 . ?
C37 C38 1.381(7) . ?
C37 H37A 0.9500 . ?
C38 H38A 0.9500 . ?
C39 C44 1.395(6) . ?
C39 C40 1.401(6) . ?
C40 C41 1.385(7) . ?
C40 H40A 0.9500 . ?
C41 C42 1.373(7) . ?
C41 H41A 0.9500 . ?
C42 C43 1.378(7) . ?
C42 H42A 0.9500 . ?
C43 C44 1.382(6) . ?
C43 H43A 0.9500 . ?
C44 H44A 0.9500 . ?
C45 C50 1.401(6) . ?
C45 C46 1.408(6) . ?
C46 C47 1.375(7) . ?
C46 H46A 0.9500 . ?
C47 C48 1.377(8) . ?
C47 H47A 0.9500 . ?
C48 C49 1.376(7) . ?
C48 H48A 0.9500 . ?
C49 C50 1.375(7) . ?
C49 H49A 0.9500 . ?
C50 H50A 0.9500 . ?
O1 C51 1.465(6) . ?
O1 C54 1.482(6) . ?
C51 C52 1.486(7) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.563(8) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.521(8) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.41(3) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 O2 1.34(4) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
O2 C58 0.93(4) 5_675 ?
O2 C57 1.04(3) 5_675 ?
O2 C57 1.45(4) . ?
C57 C58 1.50(4) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 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
N4 Y1 N1 P1 -109.73(17) . . . . ?
O1 Y1 N1 P1 133.62(16) . . . . ?
N2 Y1 N1 P1 36.9(2) . . . . ?
C1 Y1 N1 P1 -6.15(16) . . . . ?
N3 Y1 N1 P1 -121.99(18) . . . . ?
P2 Y1 N1 P1 14.58(15) . . . . ?
N4 Y1 N1 Si1 52.9(3) . . . . ?
O1 Y1 N1 Si1 -63.8(3) . . . . ?
N2 Y1 N1 Si1 -160.5(2) . . . . ?
C1 Y1 N1 Si1 156.4(3) . . . . ?
N3 Y1 N1 Si1 40.6(4) . . . . ?
P1 Y1 N1 Si1 162.6(4) . . . . ?
P2 Y1 N1 Si1 177.2(2) . . . . ?
Si1 N1 P1 C1 -153.7(3) . . . . ?
Y1 N1 P1 C1 8.6(2) . . . . ?
Si1 N1 P1 C2 80.4(3) . . . . ?
Y1 N1 P1 C2 -117.29(18) . . . . ?
Si1 N1 P1 C8 -32.6(4) . . . . ?
Y1 N1 P1 C8 129.7(2) . . . . ?
Si1 N1 P1 Y1 -162.3(4) . . . . ?
N4 Y1 P1 N1 82.2(2) . . . . ?
O1 Y1 P1 N1 -52.70(19) . . . . ?
N2 Y1 P1 N1 -149.35(19) . . . . ?
C1 Y1 P1 N1 170.0(3) . . . . ?
N3 Y1 P1 N1 101.4(2) . . . . ?
P2 Y1 P1 N1 -163.73(17) . . . . ?
N4 Y1 P1 C1 -87.8(2) . . . . ?
N1 Y1 P1 C1 -170.0(3) . . . . ?
O1 Y1 P1 C1 137.3(2) . . . . ?
N2 Y1 P1 C1 40.7(2) . . . . ?
N3 Y1 P1 C1 -68.5(2) . . . . ?
P2 Y1 P1 C1 26.31(18) . . . . ?
N4 Y1 P1 C2 172.7(2) . . . . ?
N1 Y1 P1 C2 90.5(3) . . . . ?
O1 Y1 P1 C2 37.8(2) . . . . ?
N2 Y1 P1 C2 -58.9(2) . . . . ?
C1 Y1 P1 C2 -99.6(3) . . . . ?
N3 Y1 P1 C2 -168.1(2) . . . . ?
P2 Y1 P1 C2 -73.25(19) . . . . ?
N4 Y1 P1 C8 0.0(3) . . . . ?
N1 Y1 P1 C8 -82.2(3) . . . . ?
O1 Y1 P1 C8 -134.9(2) . . . . ?
N2 Y1 P1 C8 128.4(2) . . . . ?
C1 Y1 P1 C8 87.8(3) . . . . ?
N3 Y1 P1 C8 19.2(3) . . . . ?
P2 Y1 P1 C8 114.1(2) . . . . ?
N1 P1 C1 P2 -99.9(4) . . . . ?
C2 P1 C1 P2 22.6(5) . . . . ?
C8 P1 C1 P2 140.2(4) . . . . ?
Y1 P1 C1 P2 -91.6(4) . . . . ?
N1 P1 C1 Y1 -8.4(2) . . . . ?
C2 P1 C1 Y1 114.1(2) . . . . ?
C8 P1 C1 Y1 -128.22(18) . . . . ?
N4 Y1 C1 P2 -118.78(18) . . . . ?
N1 Y1 C1 P2 141.5(2) . . . . ?
O1 Y1 C1 P2 72.3(3) . . . . ?
N2 Y1 C1 P2 0.06(16) . . . . ?
N3 Y1 C1 P2 -84.7(2) . . . . ?
P1 Y1 C1 P2 135.5(3) . . . . ?
N4 Y1 C1 P1 105.74(18) . . . . ?
N1 Y1 C1 P1 5.97(15) . . . . ?
O1 Y1 C1 P1 -63.2(3) . . . . ?
N2 Y1 C1 P1 -135.4(2) . . . . ?
N3 Y1 C1 P1 139.78(15) . . . . ?
P2 Y1 C1 P1 -135.5(3) . . . . ?
P1 C1 P2 N2 91.1(4) . . . . ?
Y1 C1 P2 N2 -0.1(2) . . . . ?
P1 C1 P2 C14 -152.0(4) . . . . ?
Y1 C1 P2 C14 116.77(19) . . . . ?
P1 C1 P2 C20 -34.4(5) . . . . ?
Y1 C1 P2 C20 -125.6(2) . . . . ?
P1 C1 P2 Y1 91.2(4) . . . . ?
N4 Y1 P2 N2 -103.8(2) . . . . ?
N1 Y1 P2 N2 144.37(19) . . . . ?
O1 Y1 P2 N2 48.41(19) . . . . ?
C1 Y1 P2 N2 179.9(3) . . . . ?
N3 Y1 P2 N2 -65.97(19) . . . . ?
P1 Y1 P2 N2 153.34(17) . . . . ?
N4 Y1 P2 C1 76.3(2) . . . . ?
N1 Y1 P2 C1 -35.5(2) . . . . ?
O1 Y1 P2 C1 -131.5(2) . . . . ?
N2 Y1 P2 C1 -179.9(3) . . . . ?
N3 Y1 P2 C1 114.1(2) . . . . ?
P1 Y1 P2 C1 -26.56(19) . . . . ?
N4 Y1 P2 C14 -17.1(2) . . . . ?
N1 Y1 P2 C14 -129.0(2) . . . . ?
O1 Y1 P2 C14 135.1(2) . . . . ?
N2 Y1 P2 C14 86.7(3) . . . . ?
C1 Y1 P2 C14 -93.4(3) . . . . ?
N3 Y1 P2 C14 20.7(2) . . . . ?
P1 Y1 P2 C14 -120.0(2) . . . . ?
N4 Y1 P2 C20 169.3(2) . . . . ?
N1 Y1 P2 C20 57.5(2) . . . . ?
O1 Y1 P2 C20 -38.5(2) . . . . ?
N2 Y1 P2 C20 -86.9(3) . . . . ?
C1 Y1 P2 C20 93.0(3) . . . . ?
N3 Y1 P2 C20 -152.9(2) . . . . ?
P1 Y1 P2 C20 66.5(2) . . . . ?
C1 P2 N2 Si2 166.3(3) . . . . ?
C14 P2 N2 Si2 46.6(4) . . . . ?
C20 P2 N2 Si2 -66.1(4) . . . . ?
Y1 P2 N2 Si2 166.2(4) . . . . ?
C1 P2 N2 Y1 0.1(2) . . . . ?
C14 P2 N2 Y1 -119.62(19) . . . . ?
C20 P2 N2 Y1 127.63(18) . . . . ?
N4 Y1 N2 P2 97.73(19) . . . . ?
N1 Y1 N2 P2 -43.2(2) . . . . ?
O1 Y1 N2 P2 -138.79(16) . . . . ?
C1 Y1 N2 P2 -0.06(16) . . . . ?
N3 Y1 N2 P2 122.71(16) . . . . ?
P1 Y1 N2 P2 -23.71(15) . . . . ?
N4 Y1 N2 Si2 -67.8(3) . . . . ?
N1 Y1 N2 Si2 151.3(2) . . . . ?
O1 Y1 N2 Si2 55.7(3) . . . . ?
C1 Y1 N2 Si2 -165.6(3) . . . . ?
N3 Y1 N2 Si2 -42.8(3) . . . . ?
P1 Y1 N2 Si2 170.8(3) . . . . ?
P2 Y1 N2 Si2 -165.5(4) . . . . ?
N1 P1 C2 C3 16.5(4) . . . . ?
C1 P1 C2 C3 -104.7(4) . . . . ?
C8 P1 C2 C3 133.3(4) . . . . ?
Y1 P1 C2 C3 -41.2(4) . . . . ?
N1 P1 C2 C7 -166.1(4) . . . . ?
C1 P1 C2 C7 72.7(4) . . . . ?
C8 P1 C2 C7 -49.4(4) . . . . ?
Y1 P1 C2 C7 136.1(3) . . . . ?
C7 C2 C3 C4 -0.9(7) . . . . ?
P1 C2 C3 C4 176.6(4) . . . . ?
C2 C3 C4 C5 1.0(8) . . . . ?
C3 C4 C5 C6 -0.9(8) . . . . ?
C4 C5 C6 C7 0.7(8) . . . . ?
C3 C2 C7 C6 0.6(7) . . . . ?
P1 C2 C7 C6 -176.8(4) . . . . ?
C5 C6 C7 C2 -0.5(7) . . . . ?
N1 P1 C8 C9 -94.7(4) . . . . ?
C1 P1 C8 C9 23.9(5) . . . . ?
C2 P1 C8 C9 148.4(4) . . . . ?
Y1 P1 C8 C9 -37.9(5) . . . . ?
N1 P1 C8 C13 80.3(4) . . . . ?
C1 P1 C8 C13 -161.1(4) . . . . ?
C2 P1 C8 C13 -36.6(5) . . . . ?
Y1 P1 C8 C13 137.1(3) . . . . ?
C13 C8 C9 C10 0.1(8) . . . . ?
P1 C8 C9 C10 175.2(4) . . . . ?
C8 C9 C10 C11 0.0(9) . . . . ?
C9 C10 C11 C12 -0.2(10) . . . . ?
C10 C11 C12 C13 0.3(9) . . . . ?
C11 C12 C13 C8 -0.2(8) . . . . ?
C9 C8 C13 C12 0.0(8) . . . . ?
P1 C8 C13 C12 -175.0(4) . . . . ?
N2 P2 C14 C15 90.5(4) . . . . ?
C1 P2 C14 C15 -27.4(5) . . . . ?
C20 P2 C14 C15 -151.6(4) . . . . ?
Y1 P2 C14 C15 33.3(5) . . . . ?
N2 P2 C14 C19 -81.6(4) . . . . ?
C1 P2 C14 C19 160.5(4) . . . . ?
C20 P2 C14 C19 36.3(5) . . . . ?
Y1 P2 C14 C19 -138.8(4) . . . . ?
C19 C14 C15 C16 0.8(7) . . . . ?
P2 C14 C15 C16 -171.6(4) . . . . ?
C14 C15 C16 C17 -0.4(8) . . . . ?
C15 C16 C17 C18 0.0(9) . . . . ?
C16 C17 C18 C19 0.0(9) . . . . ?
C17 C18 C19 C14 0.5(9) . . . . ?
C15 C14 C19 C18 -0.9(8) . . . . ?
P2 C14 C19 C18 171.3(4) . . . . ?
N2 P2 C20 C21 157.8(4) . . . . ?
C1 P2 C20 C21 -78.4(5) . . . . ?
C14 P2 C20 C21 43.3(5) . . . . ?
Y1 P2 C20 C21 -142.3(4) . . . . ?
N2 P2 C20 C25 -26.8(4) . . . . ?
C1 P2 C20 C25 97.0(4) . . . . ?
C14 P2 C20 C25 -141.3(4) . . . . ?
Y1 P2 C20 C25 33.2(5) . . . . ?
C25 C20 C21 C22 0.4(8) . . . . ?
P2 C20 C21 C22 175.9(4) . . . . ?
C20 C21 C22 C23 -0.8(8) . . . . ?
C21 C22 C23 C24 1.1(9) . . . . ?
C22 C23 C24 C25 -0.9(8) . . . . ?
C23 C24 C25 C20 0.4(8) . . . . ?
C21 C20 C25 C24 -0.2(7) . . . . ?
P2 C20 C25 C24 -175.7(4) . . . . ?
P1 N1 Si1 C27 -173.1(3) . . . . ?
Y1 N1 Si1 C27 30.7(3) . . . . ?
P1 N1 Si1 C26 68.8(4) . . . . ?
Y1 N1 Si1 C26 -87.4(3) . . . . ?
P1 N1 Si1 C28 -53.8(4) . . . . ?
Y1 N1 Si1 C28 150.0(3) . . . . ?
P2 N2 Si2 C29 173.1(3) . . . . ?
Y1 N2 Si2 C29 -26.3(4) . . . . ?
P2 N2 Si2 C30 53.3(4) . . . . ?
Y1 N2 Si2 C30 -146.1(3) . . . . ?
P2 N2 Si2 C31 -68.7(4) . . . . ?
Y1 N2 Si2 C31 91.9(3) . . . . ?
N4 Y1 N3 C39 -106.5(4) . . . . ?
N1 Y1 N3 C39 -85.1(4) . . . . ?
O1 Y1 N3 C39 17.3(3) . . . . ?
N2 Y1 N3 C39 112.8(3) . . . . ?
C1 Y1 N3 C39 -178.5(3) . . . . ?
P1 Y1 N3 C39 -139.1(3) . . . . ?
P2 Y1 N3 C39 143.4(3) . . . . ?
N1 Y1 N3 N4 21.5(3) . . . . ?
O1 Y1 N3 N4 123.8(2) . . . . ?
N2 Y1 N3 N4 -140.6(2) . . . . ?
C1 Y1 N3 N4 -72.0(3) . . . . ?
P1 Y1 N3 N4 -32.6(3) . . . . ?
P2 Y1 N3 N4 -110.0(2) . . . . ?
N4 Y1 N3 C32 107.7(4) . . . . ?
N1 Y1 N3 C32 129.1(3) . . . . ?
O1 Y1 N3 C32 -128.5(3) . . . . ?
N2 Y1 N3 C32 -33.0(3) . . . . ?
C1 Y1 N3 C32 35.7(3) . . . . ?
P1 Y1 N3 C32 75.1(3) . . . . ?
P2 Y1 N3 C32 -2.4(3) . . . . ?
C39 N3 N4 C45 -74.7(5) . . . . ?
C32 N3 N4 C45 75.3(5) . . . . ?
Y1 N3 N4 C45 173.7(4) . . . . ?
C39 N3 N4 Y1 111.5(4) . . . . ?
C32 N3 N4 Y1 -98.5(3) . . . . ?
N1 Y1 N4 C45 26.5(7) . . . . ?
O1 Y1 N4 C45 126.5(7) . . . . ?
N2 Y1 N4 C45 -119.9(7) . . . . ?
C1 Y1 N4 C45 -45.0(7) . . . . ?
N3 Y1 N4 C45 -168.3(8) . . . . ?
P1 Y1 N4 C45 -8.2(7) . . . . ?
P2 Y1 N4 C45 -80.3(7) . . . . ?
N1 Y1 N4 N3 -165.3(2) . . . . ?
O1 Y1 N4 N3 -65.2(2) . . . . ?
N2 Y1 N4 N3 48.3(3) . . . . ?
C1 Y1 N4 N3 123.2(2) . . . . ?
P1 Y1 N4 N3 160.06(19) . . . . ?
P2 Y1 N4 N3 88.0(2) . . . . ?
C39 N3 C32 C33 74.9(5) . . . . ?
N4 N3 C32 C33 -75.0(5) . . . . ?
Y1 N3 C32 C33 -138.3(4) . . . . ?
N3 C32 C33 C38 91.0(6) . . . . ?
N3 C32 C33 C34 -88.4(6) . . . . ?
C38 C33 C34 C35 -2.4(8) . . . . ?
C32 C33 C34 C35 177.0(5) . . . . ?
C33 C34 C35 C36 0.0(9) . . . . ?
C34 C35 C36 C37 2.0(9) . . . . ?
C35 C36 C37 C38 -1.5(9) . . . . ?
C34 C33 C38 C37 3.0(8) . . . . ?
C32 C33 C38 C37 -176.4(5) . . . . ?
C36 C37 C38 C33 -1.1(8) . . . . ?
N4 N3 C39 C44 -4.9(6) . . . . ?
C32 N3 C39 C44 -153.6(4) . . . . ?
Y1 N3 C39 C44 63.8(5) . . . . ?
N4 N3 C39 C40 179.1(4) . . . . ?
C32 N3 C39 C40 30.4(6) . . . . ?
Y1 N3 C39 C40 -112.2(4) . . . . ?
C44 C39 C40 C41 0.3(7) . . . . ?
N3 C39 C40 C41 176.4(4) . . . . ?
C39 C40 C41 C42 0.6(8) . . . . ?
C40 C41 C42 C43 -1.5(8) . . . . ?
C41 C42 C43 C44 1.7(8) . . . . ?
C42 C43 C44 C39 -0.9(8) . . . . ?
C40 C39 C44 C43 -0.1(7) . . . . ?
N3 C39 C44 C43 -176.3(4) . . . . ?
N3 N4 C45 C50 21.6(7) . . . . ?
Y1 N4 C45 C50 -171.9(5) . . . . ?
N3 N4 C45 C46 -159.2(4) . . . . ?
Y1 N4 C45 C46 7.3(9) . . . . ?
C50 C45 C46 C47 -2.2(8) . . . . ?
N4 C45 C46 C47 178.5(5) . . . . ?
C45 C46 C47 C48 0.9(9) . . . . ?
C46 C47 C48 C49 0.1(10) . . . . ?
C47 C48 C49 C50 0.3(9) . . . . ?
C48 C49 C50 C45 -1.6(8) . . . . ?
N4 C45 C50 C49 -178.3(5) . . . . ?
C46 C45 C50 C49 2.5(7) . . . . ?
N4 Y1 O1 C51 20.2(4) . . . . ?
N1 Y1 O1 C51 128.3(4) . . . . ?
N2 Y1 O1 C51 -109.2(4) . . . . ?
C1 Y1 O1 C51 -171.5(4) . . . . ?
N3 Y1 O1 C51 -10.7(4) . . . . ?
P1 Y1 O1 C51 154.5(4) . . . . ?
P2 Y1 O1 C51 -133.6(4) . . . . ?
N4 Y1 O1 C54 -156.7(4) . . . . ?
N1 Y1 O1 C54 -48.5(4) . . . . ?
N2 Y1 O1 C54 74.0(4) . . . . ?
C1 Y1 O1 C54 11.7(4) . . . . ?
N3 Y1 O1 C54 172.4(4) . . . . ?
P1 Y1 O1 C54 -22.4(4) . . . . ?
P2 Y1 O1 C54 49.5(4) . . . . ?
C54 O1 C51 C52 -16.1(6) . . . . ?
Y1 O1 C51 C52 166.7(3) . . . . ?
O1 C51 C52 C53 36.7(6) . . . . ?
C51 C52 C53 C54 -43.1(6) . . . . ?
C51 O1 C54 C53 -12.4(6) . . . . ?
Y1 O1 C54 C53 165.1(3) . . . . ?
C52 C53 C54 O1 34.3(6) . . . . ?
C55 C56 O2 C58 -147(7) . . . 5_675 ?
C55 C56 O2 C57 -131(3) . . . 5_675 ?
C55 C56 O2 C57 -176(2) . . . . ?
C58 O2 C57 C58 153(2) 5_675 . . . ?
C57 O2 C57 C58 32(3) 5_675 . . . ?
C56 O2 C57 C58 173(3) . . . . ?
