#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:56:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179944 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/39/7023940.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_7023940
loop_
_publ_author_name
'Sun, Song'
'Ouyang, Hao'
'Luo, Yunjie'
'Zhang, Yong'
'Shen, Qi'
'Yao, Yingming'
_publ_section_title
;
 Synthesis of β-diketiminate-ligated bimetallic and monometallic
 lanthanide amide complexes and their reactivity with isoprene and AlMe3.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16355
_journal_page_last               16364
_journal_paper_doi               10.1039/c3dt52014e
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C56 H108 N8 Si8 Y2'
_chemical_formula_sum            'C56 H108 N8 Si8 Y2'
_chemical_formula_weight         1296.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.761(4)
_cell_angle_beta                 92.247(3)
_cell_angle_gamma                108.104(4)
_cell_formula_units_Z            1
_cell_length_a                   11.1103(18)
_cell_length_b                   11.4141(19)
_cell_length_c                   15.307(2)
_cell_measurement_reflns_used    6705
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1839.9(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0657
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14910
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    1.736
_exptl_absorpt_correction_T_max  0.716
_exptl_absorpt_correction_T_min  0.432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.170
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             690
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.703
_refine_diff_density_min         -0.578
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         6792
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0473
_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)+(0.0631P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1144
_refine_ls_wR_factor_ref         0.1246
_reflns_number_gt                4974
_reflns_number_total             6792
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52014e.txt
_cod_data_source_block           complex1
_cod_database_code               7023940
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Y1 Y 0.20166(3) 0.36396(3) 0.72251(2) 0.03145(13) Uani 1 1 d .
Si1 Si 0.35475(11) 0.63232(10) 0.85755(8) 0.0470(3) Uani 1 1 d .
Si2 Si 0.42386(10) 0.60568(9) 0.67053(8) 0.0408(3) Uani 1 1 d .
Si3 Si 0.45151(10) 0.22792(10) 0.73245(7) 0.0399(3) Uani 1 1 d .
Si4 Si 0.21513(10) 0.11457(9) 0.61665(7) 0.0384(3) Uani 1 1 d .
N1 N 0.0452(3) 0.2626(3) 0.81151(19) 0.0350(7) Uani 1 1 d .
N2 N 0.0312(3) 0.4344(3) 0.6738(2) 0.0382(7) Uani 1 1 d .
N3 N 0.3405(3) 0.5487(3) 0.7593(2) 0.0378(7) Uani 1 1 d .
N4 N 0.3041(3) 0.2261(3) 0.69300(19) 0.0338(7) Uani 1 1 d .
C1 C -0.0721(5) 0.2930(4) 0.9398(3) 0.0623(13) Uani 1 1 d .
H1A H -0.1532 0.2292 0.9280 0.093 Uiso 1 1 calc R
H1B H -0.0848 0.3637 0.9712 0.093 Uiso 1 1 calc R
H1C H -0.0164 0.2611 0.9751 0.093 Uiso 1 1 calc R
C2 C -0.0132(4) 0.3316(3) 0.8547(3) 0.0411(9) Uani 1 1 d .
C3 C -0.0265(4) 0.4411(4) 0.8242(3) 0.0480(10) Uani 1 1 d .
H3 H -0.0403 0.4964 0.8672 0.058 Uiso 1 1 calc R
C4 C -0.0221(4) 0.4798(4) 0.7371(3) 0.0451(10) Uani 1 1 d .
C5 C -0.0880(5) 0.5749(4) 0.7200(3) 0.0649(14) Uani 1 1 d .
H5A H -0.0254 0.6529 0.7096 0.097 Uiso 1 1 calc R
H5B H -0.1346 0.5856 0.7705 0.097 Uiso 1 1 calc R
H5C H -0.1464 0.5470 0.6689 0.097 Uiso 1 1 calc R
C6 C 0.0096(4) 0.1336(3) 0.8294(3) 0.0405(9) Uani 1 1 d .
C7 C -0.1047(4) 0.0542(4) 0.7920(3) 0.0556(12) Uani 1 1 d .
C8 C -0.1361(6) -0.0707(5) 0.8075(4) 0.0793(17) Uani 1 1 d .
H8 H -0.2127 -0.1261 0.7829 0.095 Uiso 1 1 calc R
C9 C -0.0563(7) -0.1137(5) 0.8585(4) 0.088(2) Uani 1 1 d .
H9 H -0.0782 -0.1984 0.8676 0.106 Uiso 1 1 calc R
C10 C 0.0535(6) -0.0352(4) 0.8956(3) 0.0693(14) Uani 1 1 d .
H10 H 0.1062 -0.0661 0.9309 0.083 Uiso 1 1 calc R
C11 C 0.0895(4) 0.0894(4) 0.8826(3) 0.0467(10) Uani 1 1 d .
C12 C -0.1937(4) 0.1014(5) 0.7386(4) 0.0777(16) Uani 1 1 d .
H12A H -0.2332 0.1472 0.7768 0.117 Uiso 1 1 calc R
H12B H -0.2586 0.0323 0.7084 0.117 Uiso 1 1 calc R
H12C H -0.1469 0.1552 0.6959 0.117 Uiso 1 1 calc R
C13 C 0.2089(4) 0.1745(4) 0.9270(3) 0.0613(12) Uani 1 1 d .
H13A H 0.2507 0.1274 0.9611 0.092 Uiso 1 1 calc R
H13B H 0.1889 0.2351 0.9653 0.092 Uiso 1 1 calc R
H13C H 0.2648 0.2163 0.8832 0.092 Uiso 1 1 calc R
C14 C 0.0140(3) 0.4684(3) 0.5865(3) 0.0392(9) Uani 1 1 d .
C15 C -0.0692(3) 0.3859(4) 0.5258(3) 0.0457(10) Uani 1 1 d .
H15 H -0.1177 0.3080 0.5428 0.055 Uiso 1 1 calc R
C16 C -0.0820(4) 0.4166(3) 0.4405(3) 0.0426(10) Uani 1 1 d .
H16 H -0.1378 0.3585 0.4000 0.051 Uiso 1 1 calc R
C17 C 0.5221(5) 0.7284(5) 0.8898(4) 0.0847(18) Uani 1 1 d .
H17A H 0.5750 0.6753 0.8941 0.127 Uiso 1 1 calc R
H17B H 0.5245 0.7724 0.9460 0.127 Uiso 1 1 calc R
H17C H 0.5533 0.7873 0.8459 0.127 Uiso 1 1 calc R
C18 C 0.3008(4) 0.5254(4) 0.9467(3) 0.0576(12) Uani 1 1 d .
H18A H 0.2158 0.4706 0.9312 0.086 Uiso 1 1 calc R
H18B H 0.3006 0.5730 1.0009 0.086 Uiso 1 1 calc R
H18C H 0.3580 0.4770 0.9544 0.086 Uiso 1 1 calc R
C19 C 0.2571(5) 0.7398(4) 0.8578(3) 0.0641(13) Uani 1 1 d .
H19A H 0.2783 0.7926 0.8092 0.096 Uiso 1 1 calc R
H19B H 0.2747 0.7904 0.9124 0.096 Uiso 1 1 calc R
H19C H 0.1678 0.6922 0.8519 0.096 Uiso 1 1 calc R
C20 C 0.5965(4) 0.6188(4) 0.6797(3) 0.0588(12) Uani 1 1 d .
H20A H 0.6375 0.6745 0.7297 0.088 Uiso 1 1 calc R
H20B H 0.6361 0.6508 0.6267 0.088 Uiso 1 1 calc R
H20C H 0.6053 0.5380 0.6876 0.088 Uiso 1 1 calc R
C21 C 0.4178(4) 0.7624(4) 0.6423(3) 0.0576(12) Uani 1 1 d .
H21A H 0.3324 0.7660 0.6479 0.086 Uiso 1 1 calc R
H21B H 0.4419 0.7767 0.5826 0.086 Uiso 1 1 calc R
H21C H 0.4761 0.8252 0.6820 0.086 Uiso 1 1 calc R
C22 C 0.3542(4) 0.4944(4) 0.5728(3) 0.0481(10) Uani 1 1 d .
H22A H 0.3729 0.4178 0.5803 0.072 Uiso 1 1 calc R
H22B H 0.3910 0.5303 0.5201 0.072 Uiso 1 1 calc R
H22C H 0.2631 0.4779 0.5679 0.072 Uiso 1 1 calc R
C23 C 0.4491(5) 0.0770(4) 0.7765(3) 0.0652(13) Uani 1 1 d .
H23A H 0.3795 0.0502 0.8147 0.098 Uiso 1 1 calc R
H23B H 0.5286 0.0870 0.8092 0.098 Uiso 1 1 calc R
H23C H 0.4380 0.0156 0.7282 0.098 Uiso 1 1 calc R
C24 C 0.5174(4) 0.3475(4) 0.8249(3) 0.0533(11) Uani 1 1 d .
H24A H 0.5062 0.4251 0.8095 0.080 Uiso 1 1 calc R
H24B H 0.6070 0.3587 0.8357 0.080 Uiso 1 1 calc R
H24C H 0.4730 0.3206 0.8773 0.080 Uiso 1 1 calc R
C25 C 0.5720(4) 0.2625(4) 0.6469(3) 0.0619(13) Uani 1 1 d .
H25A H 0.5623 0.1883 0.6100 0.093 Uiso 1 1 calc R
H25B H 0.6566 0.2910 0.6751 0.093 Uiso 1 1 calc R
H25C H 0.5594 0.3262 0.6112 0.093 Uiso 1 1 calc R
C26 C 0.2981(5) 0.0946(5) 0.5155(3) 0.0676(14) Uani 1 1 d .
H26A H 0.3393 0.1749 0.4936 0.101 Uiso 1 1 calc R
H26B H 0.2368 0.0440 0.4711 0.101 Uiso 1 1 calc R
H26C H 0.3613 0.0547 0.5293 0.101 Uiso 1 1 calc R
C27 C 0.0798(4) 0.1689(4) 0.5782(3) 0.0524(11) Uani 1 1 d .
H27A H 0.0358 0.1861 0.6283 0.079 Uiso 1 1 calc R
H27B H 0.0214 0.1051 0.5393 0.079 Uiso 1 1 calc R
H27C H 0.1124 0.2434 0.5472 0.079 Uiso 1 1 calc R
C28 C 0.1439(4) -0.0417(3) 0.6578(3) 0.0523(11) Uani 1 1 d .
H28A H 0.2109 -0.0726 0.6792 0.078 Uiso 1 1 calc R
H28B H 0.0938 -0.0974 0.6106 0.078 Uiso 1 1 calc R
H28C H 0.0899 -0.0363 0.7052 0.078 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'
Y Y -2.7962 3.5667 '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
N3 Y1 N4 110.09(11) . .
N3 Y1 N1 123.31(11) . .
N4 Y1 N1 103.72(11) . .
N3 Y1 N2 97.04(11) . .
N4 Y1 N2 143.93(10) . .
N1 Y1 N2 78.91(11) . .
N3 Y1 Si2 29.87(8) . .
N4 Y1 Si2 96.80(8) . .
N1 Y1 Si2 152.34(7) . .
N2 Y1 Si2 95.30(8) . .
N3 Y1 Si4 134.63(8) . .
N4 Y1 Si4 29.82(7) . .
N1 Y1 Si4 95.21(7) . .
N2 Y1 Si4 114.64(7) . .
Si2 Y1 Si4 111.57(3) . .
N3 Si1 C18 109.75(17) . .
N3 Si1 C19 112.73(19) . .
C18 Si1 C19 107.4(2) . .
N3 Si1 C17 113.1(2) . .
C18 Si1 C17 106.6(2) . .
C19 Si1 C17 106.8(2) . .
N3 Si2 C20 114.9(2) . .
N3 Si2 C21 114.37(18) . .
C20 Si2 C21 105.8(2) . .
N3 Si2 C22 107.79(17) . .
C20 Si2 C22 105.65(19) . .
C21 Si2 C22 107.8(2) . .
N3 Si2 Y1 40.21(10) . .
C20 Si2 Y1 123.05(15) . .
C21 Si2 Y1 130.64(14) . .
C22 Si2 Y1 67.72(13) . .
N4 Si3 C23 112.15(19) . .
N4 Si3 C24 112.50(16) . .
C23 Si3 C24 105.9(2) . .
N4 Si3 C25 112.67(18) . .
C23 Si3 C25 107.2(2) . .
C24 Si3 C25 106.0(2) . .
N4 Si4 C28 115.59(17) . .
N4 Si4 C26 114.97(19) . .
C28 Si4 C26 107.4(2) . .
N4 Si4 C27 105.95(16) . .
C28 Si4 C27 106.9(2) . .
C26 Si4 C27 105.3(2) . .
N4 Si4 Y1 40.63(9) . .
C28 Si4 Y1 121.98(14) . .
C26 Si4 Y1 130.50(17) . .
C27 Si4 Y1 65.70(12) . .
C2 N1 C6 116.8(3) . .
C2 N1 Y1 116.6(2) . .
C6 N1 Y1 126.5(2) . .
C4 N2 C14 118.0(3) . .
C4 N2 Y1 114.5(2) . .
C14 N2 Y1 124.0(2) . .
Si2 N3 Si1 123.25(18) . .
Si2 N3 Y1 109.92(14) . .
Si1 N3 Y1 126.53(17) . .
Si4 N4 Si3 121.92(16) . .
Si4 N4 Y1 109.55(14) . .
Si3 N4 Y1 128.45(15) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 C3 123.4(4) . .
N1 C2 C1 120.7(4) . .
C3 C2 C1 115.8(3) . .
C2 C3 C4 128.9(3) . .
C2 C3 H3 115.6 . .
C4 C3 H3 115.6 . .
N2 C4 C3 123.5(3) . .
N2 C4 C5 121.3(4) . .
C3 C4 C5 115.2(4) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C7 C6 C11 120.9(4) . .
C7 C6 N1 118.6(4) . .
C11 C6 N1 120.5(3) . .
C6 C7 C8 118.1(5) . .
C6 C7 C12 121.4(4) . .
C8 C7 C12 120.5(5) . .
C9 C8 C7 120.7(5) . .
C9 C8 H8 119.7 . .
C7 C8 H8 119.7 . .
C10 C9 C8 120.6(5) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
C9 C10 C11 121.3(5) . .
C9 C10 H10 119.3 . .
C11 C10 H10 119.3 . .
C10 C11 C6 118.4(4) . .
C10 C11 C13 120.1(4) . .
C6 C11 C13 121.4(4) . .
C7 C12 H12A 109.5 . .
C7 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C7 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C15 C14 C16 118.0(4) . 2_566
C15 C14 N2 120.6(4) . .
C16 C14 N2 121.3(3) 2_566 .
C16 C15 C14 120.7(4) . .
C16 C15 H15 119.6 . .
C14 C15 H15 119.6 . .
C15 C16 C14 121.2(3) . 2_566
C15 C16 H16 119.4 . .
C14 C16 H16 119.4 2_566 .
Si1 C17 H17A 109.5 . .
Si1 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
Si1 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Si1 C18 H18A 109.5 . .
Si1 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Si1 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
Si1 C19 H19A 109.5 . .
Si1 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si1 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
Si2 C20 H20A 109.5 . .
Si2 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
Si2 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
Si2 C21 H21A 109.5 . .
Si2 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
Si2 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
Si2 C22 H22A 109.5 . .
Si2 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
Si2 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
Si3 C23 H23A 109.5 . .
Si3 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
Si3 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
Si3 C24 H24A 109.5 . .
Si3 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
Si3 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Si3 C25 H25A 109.5 . .
Si3 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
Si3 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Si4 C26 H26A 109.5 . .
Si4 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
Si4 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
Si4 C27 H27A 109.5 . .
Si4 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
Si4 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
Si4 C28 H28A 109.5 . .
Si4 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
Si4 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 N3 2.222(3) .
Y1 N4 2.249(3) .
Y1 N1 2.303(3) .
Y1 N2 2.383(3) .
Y1 Si2 3.2360(12) .
Y1 Si4 3.2542(11) .
Si1 N3 1.716(3) .
Si1 C18 1.866(5) .
Si1 C19 1.873(4) .
Si1 C17 1.874(5) .
Si2 N3 1.714(3) .
Si2 C20 1.876(4) .
Si2 C21 1.881(4) .
Si2 C22 1.888(4) .
Si3 N4 1.717(3) .
Si3 C23 1.873(4) .
Si3 C24 1.874(4) .
Si3 C25 1.877(5) .
Si4 N4 1.717(3) .
Si4 C28 1.864(4) .
Si4 C26 1.873(4) .
Si4 C27 1.880(4) .
N1 C2 1.333(4) .
N1 C6 1.444(5) .
N2 C4 1.321(5) .
N2 C14 1.432(5) .
C1 C2 1.504(6) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C1 H1C 0.9700 .
C2 C3 1.403(5) .
C3 C4 1.422(6) .
C3 H3 0.9400 .
C4 C5 1.513(5) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C5 H5C 0.9700 .
C6 C7 1.392(6) .
C6 C11 1.402(6) .
C7 C8 1.393(7) .
C7 C12 1.499(7) .
C8 C9 1.375(8) .
C8 H8 0.9400 .
C9 C10 1.353(8) .
C9 H9 0.9400 .
C10 C11 1.378(6) .
C10 H10 0.9400 .
C11 C13 1.494(6) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C12 H12C 0.9700 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C13 H13C 0.9700 .
C14 C15 1.382(5) .
C14 C16 1.387(5) 2_566
C15 C16 1.382(5) .
C15 H15 0.9400 .
C16 C14 1.387(5) 2_566
C16 H16 0.9400 .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C17 H17C 0.9700 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C18 H18C 0.9700 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C19 H19C 0.9700 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C20 H20C 0.9700 .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C21 H21C 0.9700 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C22 H22C 0.9700 .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C23 H23C 0.9700 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 H24C 0.9700 .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C25 H25C 0.9700 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C26 H26C 0.9700 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C27 H27C 0.9700 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C28 H28C 0.9700 .
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_4
N4 Y1 Si2 N3 -119.15(17) . .
N1 Y1 Si2 N3 18.7(2) . .
N2 Y1 Si2 N3 94.90(17) . .
Si4 Y1 Si2 N3 -145.96(16) . .
N3 Y1 Si2 C20 90.5(2) . .
N4 Y1 Si2 C20 -28.65(19) . .
N1 Y1 Si2 C20 109.2(2) . .
N2 Y1 Si2 C20 -174.61(19) . .
Si4 Y1 Si2 C20 -55.47(18) . .
N3 Y1 Si2 C21 -80.0(3) . .
N4 Y1 Si2 C21 160.8(2) . .
N1 Y1 Si2 C21 -61.3(3) . .
N2 Y1 Si2 C21 14.9(2) . .
Si4 Y1 Si2 C21 134.0(2) . .
N3 Y1 Si2 C22 -174.8(2) . .
N4 Y1 Si2 C22 66.01(16) . .
N1 Y1 Si2 C22 -156.1(2) . .
N2 Y1 Si2 C22 -79.94(15) . .
Si4 Y1 Si2 C22 39.20(14) . .
N3 Y1 Si4 N4 41.2(2) . .
N1 Y1 Si4 N4 -108.65(18) . .
N2 Y1 Si4 N4 171.18(18) . .
Si2 Y1 Si4 N4 64.28(16) . .
N3 Y1 Si4 C28 134.3(2) . .
N4 Y1 Si4 C28 93.1(2) . .
N1 Y1 Si4 C28 -15.54(18) . .
N2 Y1 Si4 C28 -95.71(18) . .
Si2 Y1 Si4 C28 157.39(16) . .
N3 Y1 Si4 C26 -40.6(2) . .
N4 Y1 Si4 C26 -81.8(3) . .
N1 Y1 Si4 C26 169.6(2) . .
N2 Y1 Si4 C26 89.4(2) . .
Si2 Y1 Si4 C26 -17.5(2) . .
N3 Y1 Si4 C27 -130.3(2) . .
N4 Y1 Si4 C27 -171.5(2) . .
N1 Y1 Si4 C27 79.82(18) . .
N2 Y1 Si4 C27 -0.35(19) . .
Si2 Y1 Si4 C27 -107.25(17) . .
N3 Y1 N1 C2 40.1(3) . .
N4 Y1 N1 C2 165.8(3) . .
N2 Y1 N1 C2 -51.1(3) . .
Si2 Y1 N1 C2 29.1(4) . .
Si4 Y1 N1 C2 -165.2(2) . .
N3 Y1 N1 C6 -135.7(3) . .
N4 Y1 N1 C6 -10.0(3) . .
N2 Y1 N1 C6 133.1(3) . .
Si2 Y1 N1 C6 -146.7(2) . .
Si4 Y1 N1 C6 19.0(3) . .
N3 Y1 N2 C4 -71.2(3) . .
N4 Y1 N2 C4 149.6(3) . .
N1 Y1 N2 C4 51.5(3) . .
Si2 Y1 N2 C4 -101.2(3) . .
Si4 Y1 N2 C4 142.2(2) . .
N3 Y1 N2 C14 87.0(3) . .
N4 Y1 N2 C14 -52.2(4) . .
N1 Y1 N2 C14 -150.3(3) . .
Si2 Y1 N2 C14 57.0(3) . .
Si4 Y1 N2 C14 -59.7(3) . .
C20 Si2 N3 Si1 73.5(3) . .
C21 Si2 N3 Si1 -49.2(3) . .
C22 Si2 N3 Si1 -169.0(2) . .
Y1 Si2 N3 Si1 -174.1(3) . .
C20 Si2 N3 Y1 -112.46(18) . .
C21 Si2 N3 Y1 124.86(19) . .
C22 Si2 N3 Y1 5.0(2) . .
C18 Si1 N3 Si2 -158.6(2) . .
C19 Si1 N3 Si2 81.7(3) . .
C17 Si1 N3 Si2 -39.6(3) . .
C18 Si1 N3 Y1 28.4(3) . .
C19 Si1 N3 Y1 -91.3(2) . .
C17 Si1 N3 Y1 147.3(3) . .
N4 Y1 N3 Si2 67.43(17) . .
N1 Y1 N3 Si2 -169.72(12) . .
N2 Y1 N3 Si2 -88.40(16) . .
Si4 Y1 N3 Si2 47.0(2) . .
N4 Y1 N3 Si1 -118.76(19) . .
N1 Y1 N3 Si1 4.1(3) . .
N2 Y1 N3 Si1 85.4(2) . .
Si2 Y1 N3 Si1 173.8(3) . .
Si4 Y1 N3 Si1 -139.18(14) . .
C28 Si4 N4 Si3 72.9(3) . .
C26 Si4 N4 Si3 -53.1(3) . .
C27 Si4 N4 Si3 -169.0(2) . .
Y1 Si4 N4 Si3 -177.0(3) . .
C28 Si4 N4 Y1 -110.10(19) . .
C26 Si4 N4 Y1 123.9(2) . .
C27 Si4 N4 Y1 8.0(2) . .
C23 Si3 N4 Si4 -53.5(3) . .
C24 Si3 N4 Si4 -172.7(2) . .
C25 Si3 N4 Si4 67.5(3) . .
C23 Si3 N4 Y1 130.1(2) . .
C24 Si3 N4 Y1 10.9(3) . .
C25 Si3 N4 Y1 -108.9(2) . .
N3 Y1 N4 Si4 -150.05(15) . .
N1 Y1 N4 Si4 76.24(17) . .
N2 Y1 N4 Si4 -13.7(3) . .
Si2 Y1 N4 Si4 -122.46(14) . .
N3 Y1 N4 Si3 26.7(2) . .
N1 Y1 N4 Si3 -107.0(2) . .
N2 Y1 N4 Si3 163.07(17) . .
Si2 Y1 N4 Si3 54.3(2) . .
Si4 Y1 N4 Si3 176.8(3) . .
C6 N1 C2 C3 -155.8(4) . .
Y1 N1 C2 C3 28.0(5) . .
C6 N1 C2 C1 22.8(5) . .
Y1 N1 C2 C1 -153.5(3) . .
N1 C2 C3 C4 22.2(7) . .
C1 C2 C3 C4 -156.4(4) . .
C14 N2 C4 C3 171.4(4) . .
Y1 N2 C4 C3 -29.0(5) . .
C14 N2 C4 C5 -6.1(5) . .
Y1 N2 C4 C5 153.5(3) . .
C2 C3 C4 N2 -20.3(7) . .
C2 C3 C4 C5 157.4(4) . .
C2 N1 C6 C7 76.9(5) . .
Y1 N1 C6 C7 -107.3(4) . .
C2 N1 C6 C11 -103.8(4) . .
Y1 N1 C6 C11 72.0(4) . .
C11 C6 C7 C8 -1.2(6) . .
N1 C6 C7 C8 178.0(4) . .
C11 C6 C7 C12 177.1(4) . .
N1 C6 C7 C12 -3.7(6) . .
C6 C7 C8 C9 0.1(7) . .
C12 C7 C8 C9 -178.2(5) . .
C7 C8 C9 C10 1.0(8) . .
C8 C9 C10 C11 -0.9(8) . .
C9 C10 C11 C6 -0.2(7) . .
C9 C10 C11 C13 177.8(5) . .
C7 C6 C11 C10 1.3(6) . .
N1 C6 C11 C10 -177.9(4) . .
C7 C6 C11 C13 -176.7(4) . .
N1 C6 C11 C13 4.1(6) . .
C4 N2 C14 C15 -104.4(4) . .
Y1 N2 C14 C15 98.1(4) . .
C4 N2 C14 C16 77.0(5) . 2_566
Y1 N2 C14 C16 -80.5(4) . 2_566
C16 C14 C15 C16 1.3(6) 2_566 .
N2 C14 C15 C16 -177.3(3) . .
C14 C15 C16 C14 -1.3(6) . 2_566
