#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:52:39 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178705 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/16/4081674.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_4081674
loop_
_publ_author_name
'Rong, Weifeng'
'Cheng, Jianhua'
'Mou, Zehuai'
'Xie, Hongyan'
'Cui, Dongmei'
_publ_section_title
;
 Facile Preparation of a Scandium Terminal Imido Complex Supported by a
 Phosphazene Ligand
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5523
_journal_paper_doi               10.1021/om400803q
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C67 H88 N4 P2 Si Y'
_chemical_formula_weight         1128.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.7800(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   48.821(3)
_cell_length_b                   14.3262(8)
_cell_length_c                   19.1490(12)
_cell_measurement_temperature    273(2)
_cell_volume                     12680.2(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1101
_diffrn_reflns_av_sigmaI/netI    0.1370
_diffrn_reflns_limit_h_max       58
_diffrn_reflns_limit_h_min       -57
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            35194
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    1.031
_exptl_absorpt_correction_T_max  0.8608
_exptl_absorpt_correction_T_min  0.8204
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.182
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4808
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.263
_refine_diff_density_min         -0.437
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     680
_refine_ls_number_reflns         11223
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.1577
_refine_ls_R_factor_gt           0.0732
_refine_ls_shift/su_max          0.042
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0913P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1589
_refine_ls_wR_factor_ref         0.1992
_reflns_number_gt                5804
_reflns_number_total             11223
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400803q_si_003.cif
_cod_data_source_block           9
_cod_original_cell_volume        12680.1(13)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4081674
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Y1 Y 0.119314(12) 0.29409(4) 0.55820(3) 0.0375(2) Uani 1 1 d .
N1 N 0.08118(9) 0.2575(3) 0.4512(2) 0.0359(12) Uani 1 1 d .
N2 N 0.12840(9) 0.3068(3) 0.4341(2) 0.0326(11) Uani 1 1 d .
N3 N 0.16235(9) 0.2284(3) 0.5469(2) 0.0359(12) Uani 1 1 d .
N4 N 0.09598(12) 0.2284(4) 0.6283(3) 0.0448(15) Uani 1 1 d .
P1 P 0.09584(3) 0.27616(11) 0.38773(9) 0.0348(4) Uani 1 1 d .
P2 P 0.16057(3) 0.26553(11) 0.46557(8) 0.0339(4) Uani 1 1 d .
Si1 Si 0.13423(5) 0.57183(14) 0.60441(11) 0.0599(6) Uani 1 1 d .
H1 H 0.0840(12) 0.214(4) 0.599(3) 0.03(2) Uiso 1 1 d .
C1 C 0.05028(12) 0.2543(4) 0.4386(3) 0.0391(15) Uani 1 1 d .
C2 C 0.03592(12) 0.3354(4) 0.4492(3) 0.0397(15) Uani 1 1 d .
C3 C 0.00636(13) 0.3309(5) 0.4394(3) 0.0508(17) Uani 1 1 d .
H3 H -0.0032 0.3843 0.4466 0.061 Uiso 1 1 calc R
C4 C -0.00881(14) 0.2495(6) 0.4193(4) 0.0580(19) Uani 1 1 d .
H4 H -0.0286 0.2481 0.4122 0.070 Uiso 1 1 calc R
C5 C 0.00525(14) 0.1696(5) 0.4095(4) 0.060(2) Uani 1 1 d .
H5 H -0.0051 0.1144 0.3964 0.072 Uiso 1 1 calc R
C6 C 0.03501(13) 0.1701(5) 0.4191(3) 0.0483(17) Uani 1 1 d .
C7 C 0.05126(13) 0.4272(4) 0.4761(3) 0.0436(16) Uani 1 1 d .
H7 H 0.0712 0.4213 0.4754 0.052 Uiso 1 1 calc R
C8 C 0.03753(14) 0.5109(4) 0.4280(3) 0.0542(18) Uani 1 1 d .
H8A H 0.0372 0.5000 0.3782 0.081 Uiso 1 1 calc R
H8B H 0.0487 0.5660 0.4468 0.081 Uiso 1 1 calc R
H8C H 0.0181 0.5194 0.4287 0.081 Uiso 1 1 calc R
C9 C 0.05263(14) 0.4462(5) 0.5567(3) 0.0582(19) Uani 1 1 d .
H9A H 0.0333 0.4497 0.5594 0.087 Uiso 1 1 calc R
H9B H 0.0624 0.5043 0.5730 0.087 Uiso 1 1 calc R
H9C H 0.0630 0.3966 0.5878 0.087 Uiso 1 1 calc R
C10 C 0.04893(15) 0.0783(5) 0.4078(5) 0.072(2) Uani 1 1 d .
H10 H 0.0693 0.0921 0.4143 0.086 Uiso 1 1 calc R
C11 C 0.04885(17) 0.0059(6) 0.4660(6) 0.111(4) Uani 1 1 d .
H11A H 0.0605 0.0278 0.5137 0.167 Uiso 1 1 calc R
H11B H 0.0566 -0.0518 0.4551 0.167 Uiso 1 1 calc R
H11C H 0.0294 -0.0039 0.4658 0.167 Uiso 1 1 calc R
C12 C 0.03580(18) 0.0408(6) 0.3303(5) 0.098(3) Uani 1 1 d .
H12A H 0.0162 0.0219 0.3228 0.147 Uiso 1 1 calc R
H12B H 0.0468 -0.0119 0.3234 0.147 Uiso 1 1 calc R
H12C H 0.0360 0.0887 0.2954 0.147 Uiso 1 1 calc R
C13 C 0.07840(12) 0.3693(4) 0.3277(3) 0.0350(14) Uani 1 1 d .
C14 C 0.04959(13) 0.3603(4) 0.2825(3) 0.0452(16) Uani 1 1 d .
H14 H 0.0396 0.3052 0.2831 0.054 Uiso 1 1 calc R
C15 C 0.03597(14) 0.4324(5) 0.2371(3) 0.0516(18) Uani 1 1 d .
H15 H 0.0169 0.4257 0.2068 0.062 Uiso 1 1 calc R
C16 C 0.05058(16) 0.5143(5) 0.2368(4) 0.0557(19) Uani 1 1 d .
H16 H 0.0413 0.5630 0.2062 0.067 Uiso 1 1 calc R
C17 C 0.07827(17) 0.5247(5) 0.2803(4) 0.0583(19) Uani 1 1 d .
H17 H 0.0879 0.5807 0.2798 0.070 Uiso 1 1 calc R
C18 C 0.09264(14) 0.4519(4) 0.3260(3) 0.0435(16) Uani 1 1 d .
H18 H 0.1118 0.4592 0.3554 0.052 Uiso 1 1 calc R
C19 C 0.09546(12) 0.1785(4) 0.3277(3) 0.0381(15) Uani 1 1 d .
C20 C 0.08571(13) 0.1847(5) 0.2509(4) 0.0519(18) Uani 1 1 d .
H20 H 0.0784 0.2410 0.2284 0.062 Uiso 1 1 calc R
C21 C 0.08681(15) 0.1075(5) 0.2075(4) 0.065(2) Uani 1 1 d .
H21 H 0.0799 0.1125 0.1564 0.078 Uiso 1 1 calc R
C22 C 0.09789(15) 0.0253(5) 0.2393(5) 0.067(2) Uani 1 1 d .
H22 H 0.0987 -0.0258 0.2101 0.080 Uiso 1 1 calc R
C23 C 0.10790(14) 0.0177(5) 0.3145(5) 0.062(2) Uani 1 1 d .
H23 H 0.1155 -0.0388 0.3362 0.075 Uiso 1 1 calc R
C24 C 0.10691(13) 0.0936(4) 0.3587(4) 0.0480(17) Uani 1 1 d .
H24 H 0.1140 0.0876 0.4098 0.058 Uiso 1 1 calc R
C25 C 0.16976(11) 0.1823(4) 0.4063(3) 0.0346(14) Uani 1 1 d .
C26 C 0.16070(12) 0.2008(4) 0.3303(3) 0.0412(15) Uani 1 1 d .
H26 H 0.1494 0.2530 0.3118 0.049 Uiso 1 1 calc R
C27 C 0.16840(13) 0.1429(5) 0.2832(3) 0.0464(17) Uani 1 1 d .
H27 H 0.1624 0.1562 0.2330 0.056 Uiso 1 1 calc R
C28 C 0.18490(14) 0.0651(5) 0.3094(4) 0.0519(18) Uani 1 1 d .
H28 H 0.1893 0.0245 0.2767 0.062 Uiso 1 1 calc R
C29 C 0.19484(14) 0.0468(4) 0.3834(4) 0.0514(18) Uani 1 1 d .
H29 H 0.2066 -0.0047 0.4011 0.062 Uiso 1 1 calc R
C30 C 0.18724(12) 0.1060(4) 0.4322(3) 0.0419(16) Uani 1 1 d .
H30 H 0.1940 0.0938 0.4826 0.050 Uiso 1 1 calc R
C31 C 0.18411(12) 0.3614(4) 0.4618(3) 0.0364(14) Uani 1 1 d .
C32 C 0.20833(13) 0.3499(5) 0.4403(4) 0.0535(18) Uani 1 1 d .
H32 H 0.2130 0.2907 0.4280 0.064 Uiso 1 1 calc R
C33 C 0.22569(15) 0.4245(6) 0.4367(4) 0.067(2) Uani 1 1 d .
H33 H 0.2418 0.4151 0.4217 0.081 Uiso 1 1 calc R
C34 C 0.21929(15) 0.5133(6) 0.4555(4) 0.062(2) Uani 1 1 d .
H34 H 0.2309 0.5636 0.4528 0.074 Uiso 1 1 calc R
C35 C 0.19540(14) 0.5266(5) 0.4783(4) 0.0587(19) Uani 1 1 d .
H35 H 0.1910 0.5857 0.4918 0.070 Uiso 1 1 calc R
C36 C 0.17796(13) 0.4505(4) 0.4810(3) 0.0454(16) Uani 1 1 d .
H36 H 0.1618 0.4596 0.4959 0.054 Uiso 1 1 calc R
C37 C 0.18505(14) 0.1739(5) 0.5974(3) 0.0453(17) Uani 1 1 d .
C38 C 0.21003(14) 0.2178(5) 0.6448(4) 0.0550(19) Uani 1 1 d .
C39 C 0.23102(17) 0.1629(7) 0.6936(4) 0.079(3) Uani 1 1 d .
H39 H 0.2477 0.1910 0.7244 0.095 Uiso 1 1 calc R
C40 C 0.2278(2) 0.0684(8) 0.6973(5) 0.091(3) Uani 1 1 d .
H40 H 0.2421 0.0326 0.7303 0.109 Uiso 1 1 calc R
C41 C 0.2032(2) 0.0272(6) 0.6516(5) 0.085(3) Uani 1 1 d .
H41 H 0.2011 -0.0371 0.6537 0.102 Uiso 1 1 calc R
C42 C 0.18143(17) 0.0782(5) 0.6027(4) 0.056(2) Uani 1 1 d .
C43 C 0.1544(2) 0.0282(5) 0.5554(4) 0.075(2) Uani 1 1 d .
H43 H 0.1455 0.0684 0.5127 0.090 Uiso 1 1 calc R
C44 C 0.1591(2) -0.0668(6) 0.5251(6) 0.128(4) Uani 1 1 d .
H44A H 0.1735 -0.0613 0.5009 0.192 Uiso 1 1 calc R
H44B H 0.1413 -0.0881 0.4903 0.192 Uiso 1 1 calc R
H44C H 0.1656 -0.1107 0.5649 0.192 Uiso 1 1 calc R
C45 C 0.13226(16) 0.0163(6) 0.5957(4) 0.076(2) Uani 1 1 d .
H45A H 0.1409 -0.0172 0.6408 0.114 Uiso 1 1 calc R
H45B H 0.1159 -0.0178 0.5650 0.114 Uiso 1 1 calc R
H45C H 0.1261 0.0767 0.6065 0.114 Uiso 1 1 calc R
C46 C 0.21470(13) 0.3211(6) 0.6466(4) 0.061(2) Uani 1 1 d .
H46 H 0.1987 0.3486 0.6068 0.073 Uiso 1 1 calc R
C47 C 0.21374(17) 0.3627(6) 0.7202(4) 0.086(3) Uani 1 1 d .
H47A H 0.1956 0.3474 0.7269 0.129 Uiso 1 1 calc R
H47B H 0.2157 0.4293 0.7192 0.129 Uiso 1 1 calc R
H47C H 0.2293 0.3373 0.7602 0.129 Uiso 1 1 calc R
C48 C 0.24291(15) 0.3493(7) 0.6341(5) 0.102(3) Uani 1 1 d .
H48A H 0.2590 0.3284 0.6748 0.153 Uiso 1 1 calc R
H48B H 0.2436 0.4160 0.6302 0.153 Uiso 1 1 calc R
H48C H 0.2438 0.3213 0.5893 0.153 Uiso 1 1 calc R
C49 C 0.08982(12) 0.2298(4) 0.6951(3) 0.0356(14) Uani 1 1 d .
C50 C 0.11263(13) 0.2449(4) 0.7617(3) 0.0409(15) Uani 1 1 d .
C51 C 0.10711(14) 0.2418(4) 0.8287(3) 0.0471(16) Uani 1 1 d .
H51 H 0.1223 0.2507 0.8723 0.057 Uiso 1 1 calc R
C52 C 0.07957(15) 0.2255(4) 0.8317(4) 0.0547(18) Uani 1 1 d .
H52 H 0.0762 0.2224 0.8769 0.066 Uiso 1 1 calc R
C53 C 0.05730(14) 0.2141(4) 0.7670(4) 0.0516(17) Uani 1 1 d .
H53 H 0.0387 0.2046 0.7691 0.062 Uiso 1 1 calc R
C54 C 0.06130(12) 0.2160(4) 0.6988(3) 0.0408(15) Uani 1 1 d .
C55 C 0.03571(13) 0.1968(4) 0.6301(4) 0.0493(17) Uani 1 1 d .
H55 H 0.0407 0.2205 0.5878 0.059 Uiso 1 1 calc R
C56 C 0.03090(18) 0.0928(6) 0.6196(5) 0.101(3) Uani 1 1 d .
H56A H 0.0485 0.0633 0.6192 0.151 Uiso 1 1 calc R
H56B H 0.0160 0.0811 0.5736 0.151 Uiso 1 1 calc R
H56C H 0.0252 0.0679 0.6593 0.151 Uiso 1 1 calc R
C57 C 0.00763(15) 0.2442(7) 0.6294(5) 0.099(3) Uani 1 1 d .
H57A H 0.0014 0.2192 0.6684 0.149 Uiso 1 1 calc R
H57B H -0.0070 0.2330 0.5828 0.149 Uiso 1 1 calc R
H57C H 0.0108 0.3101 0.6364 0.149 Uiso 1 1 calc R
C58 C 0.14329(12) 0.2610(4) 0.7631(3) 0.0441(16) Uani 1 1 d .
H58 H 0.1425 0.2820 0.7138 0.053 Uiso 1 1 calc R
C59 C 0.16060(13) 0.1705(5) 0.7788(4) 0.061(2) Uani 1 1 d .
H59A H 0.1625 0.1494 0.8277 0.092 Uiso 1 1 calc R
H59B H 0.1795 0.1813 0.7748 0.092 Uiso 1 1 calc R
H59C H 0.1508 0.1239 0.7436 0.092 Uiso 1 1 calc R
C60 C 0.15861(15) 0.3374(5) 0.8177(4) 0.073(2) Uani 1 1 d .
H60A H 0.1474 0.3937 0.8069 0.109 Uiso 1 1 calc R
H60B H 0.1774 0.3488 0.8134 0.109 Uiso 1 1 calc R
H60C H 0.1607 0.3175 0.8670 0.109 Uiso 1 1 calc R
C61 C 0.13172(14) 0.4435(5) 0.6117(4) 0.0574(19) Uani 1 1 d .
H61A H 0.1213 0.4410 0.6471 0.069 Uiso 1 1 calc R
H61B H 0.1516 0.4308 0.6411 0.069 Uiso 1 1 calc R
C62 C 0.1124(2) 0.6368(6) 0.6532(5) 0.099(3) Uani 1 1 d .
H62A H 0.0923 0.6228 0.6304 0.148 Uiso 1 1 calc R
H62B H 0.1154 0.7027 0.6500 0.148 Uiso 1 1 calc R
H62C H 0.1183 0.6183 0.7040 0.148 Uiso 1 1 calc R
C63 C 0.17213(17) 0.6135(6) 0.6473(5) 0.096(3) Uani 1 1 d .
H63A H 0.1786 0.5985 0.6989 0.144 Uiso 1 1 calc R
H63B H 0.1728 0.6799 0.6413 0.144 Uiso 1 1 calc R
H63C H 0.1845 0.5836 0.6239 0.144 Uiso 1 1 calc R
C64 C 0.12097(19) 0.6164(5) 0.5072(4) 0.086(3) Uani 1 1 d .
H64A H 0.1324 0.5899 0.4798 0.129 Uiso 1 1 calc R
H64B H 0.1226 0.6832 0.5075 0.129 Uiso 1 1 calc R
H64C H 0.1011 0.5990 0.4847 0.129 Uiso 1 1 calc R
C65 C 0.2741(2) 0.7193(7) 0.5261(5) 0.109(3) Uiso 1 1 d .
H65A H 0.2808 0.6552 0.5289 0.131 Uiso 1 1 calc R
H65B H 0.2910 0.7550 0.5535 0.131 Uiso 1 1 calc R
C66 C 0.2590(3) 0.7186(9) 0.5708(7) 0.158(5) Uiso 1 1 d .
H66 H 0.2685 0.6922 0.6166 0.189 Uiso 1 1 calc R
C67 C 0.2296(3) 0.7519(9) 0.5625(7) 0.161(5) Uiso 1 1 d .
H67A H 0.2291 0.8049 0.5935 0.193 Uiso 1 1 calc R
H67B H 0.2165 0.7031 0.5671 0.193 Uiso 1 1 calc R
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'
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_3
N4 Y1 N1 90.91(19) .
N4 Y1 C61 103.3(2) .
N1 Y1 C61 127.0(2) .
N4 Y1 N3 121.74(18) .
N1 Y1 N3 108.01(15) .
C61 Y1 N3 106.69(19) .
N4 Y1 N2 149.75(19) .
N1 Y1 N2 62.00(14) .
C61 Y1 N2 103.94(19) .
N3 Y1 N2 61.39(14) .
C1 N1 P1 124.6(4) .
C1 N1 Y1 130.1(3) .
P1 N1 Y1 101.6(2) .
P2 N2 P1 141.2(3) .
P2 N2 Y1 93.80(19) .
P1 N2 Y1 93.27(18) .
C37 N3 P2 127.8(4) .
C37 N3 Y1 131.7(3) .
P2 N3 Y1 100.5(2) .
C49 N4 Y1 147.4(5) .
N2 P1 N1 103.2(2) .
N2 P1 C13 109.4(2) .
N1 P1 C13 111.8(2) .
N2 P1 C19 111.6(2) .
N1 P1 C19 115.7(3) .
C13 P1 C19 105.3(3) .
N2 P2 N3 103.0(2) .
N2 P2 C25 114.8(3) .
N3 P2 C25 116.2(3) .
N2 P2 C31 105.3(3) .
N3 P2 C31 116.7(3) .
C25 P2 C31 100.8(3) .
C61 Si1 C63 111.4(4) .
C61 Si1 C62 113.2(3) .
C63 Si1 C62 105.3(4) .
C61 Si1 C64 113.8(3) .
C63 Si1 C64 107.8(4) .
C62 Si1 C64 104.8(4) .
C6 C1 C2 120.1(5) .
C6 C1 N1 120.4(5) .
C2 C1 N1 119.4(5) .
C3 C2 C1 119.0(6) .
C3 C2 C7 117.5(6) .
C1 C2 C7 123.4(5) .
C4 C3 C2 121.4(6) .
C3 C4 C5 119.8(6) .
C4 C5 C6 121.2(7) .
C1 C6 C5 118.5(6) .
C1 C6 C10 123.7(6) .
C5 C6 C10 117.8(6) .
C2 C7 C8 113.7(5) .
C2 C7 C9 110.4(5) .
C8 C7 C9 109.4(5) .
C12 C10 C11 112.1(7) .
C12 C10 C6 112.2(7) .
C11 C10 C6 112.1(6) .
C18 C13 C14 118.6(6) .
C18 C13 P1 121.1(5) .
C14 C13 P1 120.3(5) .
C15 C14 C13 120.4(6) .
C16 C15 C14 119.9(6) .
C17 C16 C15 120.7(7) .
C16 C17 C18 120.4(7) .
C13 C18 C17 120.0(6) .
C24 C19 C20 117.4(6) .
C24 C19 P1 119.0(5) .
C20 C19 P1 123.5(5) .
C19 C20 C21 120.8(7) .
C22 C21 C20 120.5(7) .
C21 C22 C23 119.8(7) .
C22 C23 C24 120.6(7) .
C19 C24 C23 120.8(7) .
C30 C25 C26 118.4(5) .
C30 C25 P2 123.3(5) .
C26 C25 P2 118.0(4) .
C27 C26 C25 120.6(6) .
C26 C27 C28 120.4(6) .
C29 C28 C27 120.4(6) .
C28 C29 C30 119.7(6) .
C25 C30 C29 120.5(6) .
C32 C31 C36 117.8(6) .
C32 C31 P2 122.6(5) .
C36 C31 P2 119.6(4) .
C31 C32 C33 121.4(7) .
C32 C33 C34 120.4(6) .
C35 C34 C33 119.5(7) .
C34 C35 C36 119.4(7) .
C35 C36 C31 121.5(6) .
C42 C37 C38 119.7(6) .
C42 C37 N3 119.6(6) .
C38 C37 N3 120.5(6) .
C39 C38 C37 118.6(8) .
C39 C38 C46 118.1(7) .
C37 C38 C46 123.3(6) .
C40 C39 C38 121.6(9) .
C39 C40 C41 119.0(8) .
C42 C41 C40 122.1(9) .
C41 C42 C37 118.9(8) .
C41 C42 C43 119.2(8) .
C37 C42 C43 121.9(6) .
C42 C43 C45 111.8(6) .
C42 C43 C44 116.1(8) .
C45 C43 C44 108.2(6) .
C38 C46 C48 113.4(7) .
C38 C46 C47 110.7(6) .
C48 C46 C47 109.6(6) .
N4 C49 C50 119.1(5) .
N4 C49 C54 122.7(5) .
C50 C49 C54 118.2(5) .
C51 C50 C49 119.7(6) .
C51 C50 C58 118.3(6) .
C49 C50 C58 122.0(5) .
C52 C51 C50 121.5(6) .
C53 C52 C51 118.7(6) .
C52 C53 C54 122.7(6) .
C53 C54 C49 119.1(6) .
C53 C54 C55 119.2(5) .
C49 C54 C55 121.6(5) .
C56 C55 C54 110.0(5) .
C56 C55 C57 109.7(6) .
C54 C55 C57 114.5(6) .
C50 C58 C59 111.0(5) .
C50 C58 C60 112.7(5) .
C59 C58 C60 110.8(5) .
Si1 C61 Y1 151.6(4) .
C66 C65 C67 139.7(10) 7_566
C65 C66 C67 131.9(13) .
C66 C67 C65 88.4(9) 7_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 N4 2.230(5) .
Y1 N1 2.342(5) .
Y1 C61 2.366(6) .
Y1 N3 2.375(4) .
Y1 N2 2.561(4) .
N1 C1 1.450(6) .
N1 P1 1.619(4) .
N2 P2 1.603(4) .
N2 P1 1.612(4) .
N3 C37 1.443(7) .
N3 P2 1.622(5) .
N4 C49 1.404(7) .
P1 C13 1.788(6) .
P1 C19 1.807(6) .
P2 C25 1.799(6) .
P2 C31 1.807(6) .
Si1 C61 1.851(7) .
Si1 C63 1.865(8) .
Si1 C62 1.875(7) .
Si1 C64 1.875(8) .
C1 C6 1.404(8) .
C1 C2 1.406(8) .
C2 C3 1.395(8) .
C2 C7 1.519(8) .
C3 C4 1.368(9) .
C4 C5 1.378(9) .
C5 C6 1.404(8) .
C6 C10 1.527(9) .
C7 C8 1.530(8) .
C7 C9 1.548(8) .
C10 C12 1.514(10) .
C10 C11 1.522(10) .
C13 C18 1.378(8) .
C13 C14 1.400(8) .
C14 C15 1.375(8) .
C15 C16 1.375(9) .
C16 C17 1.348(9) .
C17 C18 1.397(8) .
C19 C24 1.389(8) .
C19 C20 1.395(8) .
C20 C21 1.394(8) .
C21 C22 1.357(10) .
C22 C23 1.367(10) .
C23 C24 1.389(9) .
C25 C30 1.377(8) .
C25 C26 1.404(8) .
C26 C27 1.364(8) .
C27 C28 1.373(9) .
C28 C29 1.366(9) .
C29 C30 1.399(8) .
C31 C32 1.381(8) .
C31 C36 1.388(8) .
C32 C33 1.379(9) .
C33 C34 1.384(9) .
C34 C35 1.384(9) .
C35 C36 1.394(8) .
C37 C42 1.390(9) .
C37 C38 1.412(9) .
C38 C39 1.387(9) .
C38 C46 1.496(10) .
C39 C40 1.368(12) .
C40 C41 1.371(12) .
C41 C42 1.377(10) .
C42 C43 1.518(10) .
C43 C45 1.527(10) .
C43 C44 1.525(10) .
C46 C48 1.527(9) .
C46 C47 1.544(10) .
C49 C50 1.414(8) .
C49 C54 1.431(7) .
C50 C51 1.394(8) .
C50 C58 1.506(8) .
C51 C52 1.384(8) .
C52 C53 1.370(9) .
C53 C54 1.381(8) .
C54 C55 1.519(8) .
C55 C56 1.512(9) .
C55 C57 1.526(9) .
C58 C59 1.524(8) .
C58 C60 1.531(8) .
C65 C66 1.296(13) .
C65 C67 1.699(14) 7_566
C66 C67 1.473(15) .
C67 C65 1.699(14) 7_566
