#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:56:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179944 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/39/7023941.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_7023941
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 Sm2'
_chemical_formula_sum            'C56 H108 N8 Si8 Sm2'
_chemical_formula_weight         1418.92
_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                92.946(2)
_cell_angle_beta                 93.603(2)
_cell_angle_gamma                108.289(3)
_cell_formula_units_Z            1
_cell_length_a                   11.2006(12)
_cell_length_b                   11.4482(11)
_cell_length_c                   15.2323(13)
_cell_measurement_reflns_used    8822
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1845.6(3)
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0372
_diffrn_reflns_av_sigmaI/netI    0.0518
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15907
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    1.742
_exptl_absorpt_correction_T_max  0.819
_exptl_absorpt_correction_T_min  0.508
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.731
_refine_diff_density_min         -0.541
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         6812
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0316
_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)+(0.0258P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0619
_refine_ls_wR_factor_ref         0.0643
_reflns_number_gt                6104
_reflns_number_total             6812
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52014e.txt
_cod_data_source_block           complex2
_cod_database_code               7023941
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
Sm1 Sm 0.300239(16) 0.132374(13) 0.273185(10) 0.02866(6) Uani 1 1 d .
Si1 Si 0.28559(9) 0.38405(8) 0.38192(6) 0.0354(2) Uani 1 1 d .
Si2 Si 0.04806(9) 0.26569(8) 0.26221(6) 0.0375(2) Uani 1 1 d .
Si3 Si 0.07937(10) -0.11355(8) 0.33565(6) 0.0383(2) Uani 1 1 d .
Si4 Si 0.14782(10) -0.14415(8) 0.14766(6) 0.0426(2) Uani 1 1 d .
N1 N 0.4635(3) 0.2383(2) 0.18643(16) 0.0329(6) Uani 1 1 d .
N2 N 0.4788(3) 0.0683(2) 0.32465(17) 0.0368(7) Uani 1 1 d .
N3 N 0.1959(2) 0.2715(2) 0.30456(15) 0.0309(6) Uani 1 1 d .
N4 N 0.1610(3) -0.0611(2) 0.24652(16) 0.0336(6) Uani 1 1 d .
C1 C 0.5828(4) 0.2107(4) 0.0606(2) 0.0620(12) Uani 1 1 d .
H1A H 0.5322 0.2507 0.0273 0.093 Uiso 1 1 calc R
H1B H 0.5874 0.1392 0.0257 0.093 Uiso 1 1 calc R
H1C H 0.6672 0.2680 0.0748 0.093 Uiso 1 1 calc R
C2 C 0.5234(3) 0.1704(3) 0.1446(2) 0.0391(8) Uani 1 1 d .
C3 C 0.5381(4) 0.0623(3) 0.1754(2) 0.0476(9) Uani 1 1 d .
H3 H 0.5535 0.0080 0.1325 0.057 Uiso 1 1 calc R
C4 C 0.5330(3) 0.0235(3) 0.2621(2) 0.0404(8) Uani 1 1 d .
C5 C 0.5991(4) -0.0707(4) 0.2810(3) 0.0598(11) Uani 1 1 d .
H5A H 0.6550 -0.0433 0.3345 0.090 Uiso 1 1 calc R
H5B H 0.6479 -0.0794 0.2321 0.090 Uiso 1 1 calc R
H5C H 0.5368 -0.1496 0.2885 0.090 Uiso 1 1 calc R
C6 C 0.4946(3) 0.3667(3) 0.1683(2) 0.0383(8) Uani 1 1 d .
C7 C 0.4114(4) 0.4061(3) 0.1143(2) 0.0444(9) Uani 1 1 d .
C8 C 0.4421(5) 0.5307(4) 0.1012(3) 0.0668(13) Uani 1 1 d .
H8 H 0.3876 0.5585 0.0644 0.080 Uiso 1 1 calc R
C9 C 0.5497(6) 0.6131(4) 0.1407(3) 0.0824(17) Uani 1 1 d .
H9 H 0.5681 0.6976 0.1324 0.099 Uiso 1 1 calc R
C10 C 0.6319(5) 0.5737(4) 0.1927(3) 0.0756(15) Uani 1 1 d .
H10 H 0.7064 0.6318 0.2192 0.091 Uiso 1 1 calc R
C11 C 0.6074(4) 0.4495(3) 0.2073(2) 0.0524(10) Uani 1 1 d .
C12 C 0.2930(4) 0.3176(4) 0.0689(2) 0.0585(11) Uani 1 1 d .
H12A H 0.2508 0.3619 0.0321 0.088 Uiso 1 1 calc R
H12B H 0.2378 0.2778 0.1127 0.088 Uiso 1 1 calc R
H12C H 0.3136 0.2557 0.0326 0.088 Uiso 1 1 calc R
C13 C 0.6983(4) 0.4073(4) 0.2636(3) 0.0768(14) Uani 1 1 d .
H13A H 0.6528 0.3517 0.3049 0.115 Uiso 1 1 calc R
H13B H 0.7599 0.4782 0.2959 0.115 Uiso 1 1 calc R
H13C H 0.7412 0.3649 0.2264 0.115 Uiso 1 1 calc R
C14 C 0.4923(3) 0.0331(3) 0.4132(2) 0.0378(8) Uani 1 1 d .
C15 C 0.5692(3) 0.1155(3) 0.4783(2) 0.0403(8) Uani 1 1 d .
H15 H 0.6174 0.1944 0.4640 0.048 Uiso 1 1 calc R
C16 C 0.5761(3) 0.0835(3) 0.5636(2) 0.0412(8) Uani 1 1 d .
H16 H 0.6280 0.1415 0.6072 0.049 Uiso 1 1 calc R
C17 C 0.4228(4) 0.3328(3) 0.4210(2) 0.0510(10) Uani 1 1 d .
H17A H 0.3917 0.2548 0.4474 0.076 Uiso 1 1 calc R
H17B H 0.4776 0.3944 0.4644 0.076 Uiso 1 1 calc R
H17C H 0.4697 0.3230 0.3713 0.076 Uiso 1 1 calc R
C18 C 0.2038(4) 0.4040(4) 0.4826(2) 0.0691(13) Uani 1 1 d .
H18A H 0.1368 0.4379 0.4669 0.104 Uiso 1 1 calc R
H18B H 0.2641 0.4598 0.5266 0.104 Uiso 1 1 calc R
H18C H 0.1683 0.3246 0.5064 0.104 Uiso 1 1 calc R
C19 C 0.3526(4) 0.5400(3) 0.3403(2) 0.0508(10) Uani 1 1 d .
H19A H 0.4040 0.5348 0.2923 0.076 Uiso 1 1 calc R
H19B H 0.4041 0.5967 0.3877 0.076 Uiso 1 1 calc R
H19C H 0.2843 0.5694 0.3194 0.076 Uiso 1 1 calc R
C20 C -0.0144(4) 0.1404(3) 0.1707(2) 0.0507(10) Uani 1 1 d .
H20A H 0.0274 0.1667 0.1179 0.076 Uiso 1 1 calc R
H20B H -0.1045 0.1239 0.1590 0.076 Uiso 1 1 calc R
H20C H 0.0018 0.0661 0.1880 0.076 Uiso 1 1 calc R
C21 C 0.0470(4) 0.4123(3) 0.2133(3) 0.0601(11) Uani 1 1 d .
H21A H 0.0675 0.4786 0.2596 0.090 Uiso 1 1 calc R
H21B H -0.0361 0.4016 0.1848 0.090 Uiso 1 1 calc R
H21C H 0.1089 0.4327 0.1701 0.090 Uiso 1 1 calc R
C22 C -0.0711(4) 0.2343(4) 0.3463(3) 0.0581(11) Uani 1 1 d .
H22A H -0.0634 0.1671 0.3801 0.087 Uiso 1 1 calc R
H22B H -0.1553 0.2118 0.3167 0.087 Uiso 1 1 calc R
H22C H -0.0562 0.3078 0.3856 0.087 Uiso 1 1 calc R
C23 C 0.1484(4) 0.0027(3) 0.4322(2) 0.0431(9) Uani 1 1 d .
H23A H 0.2382 0.0154 0.4417 0.065 Uiso 1 1 calc R
H23B H 0.1076 -0.0277 0.4846 0.065 Uiso 1 1 calc R
H23C H 0.1350 0.0802 0.4201 0.065 Uiso 1 1 calc R
C24 C 0.0849(4) -0.2680(3) 0.3673(3) 0.0553(11) Uani 1 1 d .
H24A H 0.0340 -0.3316 0.3235 0.083 Uiso 1 1 calc R
H24B H 0.0522 -0.2837 0.4244 0.083 Uiso 1 1 calc R
H24C H 0.1715 -0.2685 0.3702 0.083 Uiso 1 1 calc R
C25 C -0.0919(4) -0.1262(3) 0.3220(3) 0.0567(10) Uani 1 1 d .
H25A H -0.0998 -0.0449 0.3163 0.085 Uiso 1 1 calc R
H25B H -0.1330 -0.1613 0.3731 0.085 Uiso 1 1 calc R
H25C H -0.1315 -0.1791 0.2694 0.085 Uiso 1 1 calc R
C26 C 0.2031(4) -0.0336(3) 0.0606(2) 0.0553(10) Uani 1 1 d .
H26A H 0.1471 0.0156 0.0535 0.083 Uiso 1 1 calc R
H26B H 0.2025 -0.0795 0.0052 0.083 Uiso 1 1 calc R
H26C H 0.2881 0.0201 0.0783 0.083 Uiso 1 1 calc R
C27 C -0.0179(4) -0.2406(4) 0.1104(3) 0.0814(15) Uani 1 1 d .
H27A H -0.0501 -0.2996 0.1535 0.122 Uiso 1 1 calc R
H27B H -0.0190 -0.2844 0.0539 0.122 Uiso 1 1 calc R
H27C H -0.0704 -0.1879 0.1043 0.122 Uiso 1 1 calc R
C28 C 0.2478(4) -0.2478(3) 0.1488(3) 0.0617(12) Uani 1 1 d .
H28A H 0.3360 -0.1984 0.1588 0.093 Uiso 1 1 calc R
H28B H 0.2338 -0.2957 0.0925 0.093 Uiso 1 1 calc R
H28C H 0.2254 -0.3030 0.1956 0.093 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'
Sm Sm -0.1638 3.4418 '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
N4 Sm1 N3 110.45(9) . .
N4 Sm1 N1 128.31(9) . .
N3 Sm1 N1 104.65(9) . .
N4 Sm1 N2 96.03(9) . .
N3 Sm1 N2 142.53(9) . .
N1 Sm1 N2 76.30(9) . .
N4 Sm1 Si1 132.75(7) . .
N3 Sm1 Si1 29.23(6) . .
N1 Sm1 Si1 95.10(6) . .
N2 Sm1 Si1 113.76(6) . .
N4 Sm1 Si3 28.16(6) . .
N3 Sm1 Si3 95.96(6) . .
N1 Sm1 Si3 155.31(6) . .
N2 Sm1 Si3 95.56(6) . .
Si1 Sm1 Si3 109.44(2) . .
N3 Si1 C19 115.13(14) . .
N3 Si1 C18 114.54(17) . .
C19 Si1 C18 107.18(18) . .
N3 Si1 C17 106.14(14) . .
C19 Si1 C17 107.11(18) . .
C18 Si1 C17 106.14(19) . .
N3 Si1 Sm1 40.91(8) . .
C19 Si1 Sm1 121.70(12) . .
C18 Si1 Sm1 130.88(14) . .
C17 Si1 Sm1 65.63(11) . .
N3 Si2 C22 113.11(16) . .
N3 Si2 C21 112.58(16) . .
C22 Si2 C21 106.97(18) . .
N3 Si2 C20 111.17(15) . .
C22 Si2 C20 106.64(18) . .
C21 Si2 C20 105.90(18) . .
N4 Si3 C24 114.33(15) . .
N4 Si3 C25 114.07(16) . .
C24 Si3 C25 106.21(18) . .
N4 Si3 C23 107.88(14) . .
C24 Si3 C23 108.53(17) . .
C25 Si3 C23 105.35(17) . .
N4 Si3 Sm1 38.75(8) . .
C24 Si3 Sm1 132.03(13) . .
C25 Si3 Sm1 120.82(12) . .
C23 Si3 Sm1 69.38(11) . .
N4 Si4 C28 112.64(16) . .
N4 Si4 C27 113.56(17) . .
C28 Si4 C27 107.8(2) . .
N4 Si4 C26 108.59(14) . .
C28 Si4 C26 107.14(18) . .
C27 Si4 C26 106.7(2) . .
C2 N1 C6 117.5(3) . .
C2 N1 Sm1 116.8(2) . .
C6 N1 Sm1 125.4(2) . .
C4 N2 C14 118.5(3) . .
C4 N2 Sm1 115.3(2) . .
C14 N2 Sm1 121.5(2) . .
Si1 N3 Si2 123.06(14) . .
Si1 N3 Sm1 109.86(13) . .
Si2 N3 Sm1 127.04(13) . .
Si4 N4 Si3 125.27(15) . .
Si4 N4 Sm1 121.58(13) . .
Si3 N4 Sm1 113.09(12) . .
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 123.8(3) . .
N1 C2 C1 120.2(3) . .
C3 C2 C1 116.0(3) . .
C2 C3 C4 129.0(3) . .
C2 C3 H3 115.5 . .
C4 C3 H3 115.5 . .
N2 C4 C3 123.3(3) . .
N2 C4 C5 121.2(3) . .
C3 C4 C5 115.5(3) . .
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 . .
C11 C6 C7 121.3(3) . .
C11 C6 N1 118.5(3) . .
C7 C6 N1 120.2(3) . .
C8 C7 C6 118.6(4) . .
C8 C7 C12 119.5(4) . .
C6 C7 C12 121.8(3) . .
C9 C8 C7 120.8(5) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C8 C9 C10 120.3(4) . .
C8 C9 H9 119.9 . .
C10 C9 H9 119.9 . .
C9 C10 C11 121.6(4) . .
C9 C10 H10 119.2 . .
C11 C10 H10 119.2 . .
C10 C11 C6 117.4(4) . .
C10 C11 C13 121.1(4) . .
C6 C11 C13 121.5(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 118.1(3) . 2_656
C15 C14 N2 121.0(3) . .
C16 C14 N2 120.9(3) 2_656 .
C16 C15 C14 120.7(3) . .
C16 C15 H15 119.7 . .
C14 C15 H15 119.7 . .
C15 C16 C14 121.2(3) . 2_656
C15 C16 H16 119.4 . .
C14 C16 H16 119.4 2_656 .
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
Sm1 N4 2.272(2) .
Sm1 N3 2.300(2) .
Sm1 N1 2.375(3) .
Sm1 N2 2.436(3) .
Sm1 Si1 3.3034(9) .
Sm1 Si3 3.3394(10) .
Si1 N3 1.715(3) .
Si1 C19 1.867(3) .
Si1 C18 1.874(4) .
Si1 C17 1.883(4) .
Si2 N3 1.719(3) .
Si2 C22 1.874(4) .
Si2 C21 1.875(3) .
Si2 C20 1.879(3) .
Si3 N4 1.713(3) .
Si3 C24 1.875(3) .
Si3 C25 1.875(4) .
Si3 C23 1.882(3) .
Si4 N4 1.712(3) .
Si4 C28 1.870(4) .
Si4 C27 1.872(4) .
Si4 C26 1.877(4) .
N1 C2 1.337(4) .
N1 C6 1.446(4) .
N2 C4 1.326(4) .
N2 C14 1.440(4) .
C1 C2 1.506(5) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C1 H1C 0.9700 .
C2 C3 1.399(4) .
C3 C4 1.414(5) .
C3 H3 0.9400 .
C4 C5 1.516(4) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C5 H5C 0.9700 .
C6 C11 1.394(5) .
C6 C7 1.398(5) .
C7 C8 1.387(5) .
C7 C12 1.494(5) .
C8 C9 1.358(7) .
C8 H8 0.9400 .
C9 C10 1.373(7) .
C9 H9 0.9400 .
C10 C11 1.393(6) .
C10 H10 0.9400 .
C11 C13 1.500(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 1.378(4) .
C14 C16 1.391(4) 2_656
C15 C16 1.372(5) .
C15 H15 0.9400 .
C16 C14 1.391(4) 2_656
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 Sm1 Si1 N3 -47.35(16) . .
N1 Sm1 Si1 N3 111.12(14) . .
N2 Sm1 Si1 N3 -171.62(14) . .
Si3 Sm1 Si1 N3 -66.09(13) . .
N4 Sm1 Si1 C19 -140.18(17) . .
N3 Sm1 Si1 C19 -92.83(19) . .
N1 Sm1 Si1 C19 18.29(16) . .
N2 Sm1 Si1 C19 95.55(16) . .
Si3 Sm1 Si1 C19 -158.92(15) . .
N4 Sm1 Si1 C18 33.4(2) . .
N3 Sm1 Si1 C18 80.8(2) . .
N1 Sm1 Si1 C18 -168.1(2) . .
N2 Sm1 Si1 C18 -90.8(2) . .
Si3 Sm1 Si1 C18 14.7(2) . .
N4 Sm1 Si1 C17 124.10(16) . .
N3 Sm1 Si1 C17 171.44(19) . .
N1 Sm1 Si1 C17 -77.44(15) . .
N2 Sm1 Si1 C17 -0.17(15) . .
Si3 Sm1 Si1 C17 105.35(14) . .
N3 Sm1 Si3 N4 123.33(16) . .
N1 Sm1 Si3 N4 -23.3(2) . .
N2 Sm1 Si3 N4 -92.38(16) . .
Si1 Sm1 Si3 N4 150.00(14) . .
N4 Sm1 Si3 C24 76.3(2) . .
N3 Sm1 Si3 C24 -160.36(18) . .
N1 Sm1 Si3 C24 53.0(2) . .
N2 Sm1 Si3 C24 -16.07(18) . .
Si1 Sm1 Si3 C24 -133.69(17) . .
N4 Sm1 Si3 C25 -90.9(2) . .
N3 Sm1 Si3 C25 32.44(16) . .
N1 Sm1 Si3 C25 -114.2(2) . .
N2 Sm1 Si3 C25 176.73(16) . .
Si1 Sm1 Si3 C25 59.12(15) . .
N4 Sm1 Si3 C23 173.09(19) . .
N3 Sm1 Si3 C23 -63.58(13) . .
N1 Sm1 Si3 C23 149.75(19) . .
N2 Sm1 Si3 C23 80.71(14) . .
Si1 Sm1 Si3 C23 -36.91(12) . .
N4 Sm1 N1 C2 -35.4(3) . .
N3 Sm1 N1 C2 -167.2(2) . .
N2 Sm1 N1 C2 51.5(2) . .
Si1 Sm1 N1 C2 164.7(2) . .
Si3 Sm1 N1 C2 -21.6(3) . .
N4 Sm1 N1 C6 138.1(2) . .
N3 Sm1 N1 C6 6.3(3) . .
N2 Sm1 N1 C6 -135.0(3) . .
Si1 Sm1 N1 C6 -21.8(2) . .
Si3 Sm1 N1 C6 151.9(2) . .
N4 Sm1 N2 C4 75.3(2) . .
N3 Sm1 N2 C4 -149.0(2) . .
N1 Sm1 N2 C4 -52.7(2) . .
Si1 Sm1 N2 C4 -142.3(2) . .
Si3 Sm1 N2 C4 103.6(2) . .
N4 Sm1 N2 C14 -80.1(2) . .
N3 Sm1 N2 C14 55.6(3) . .
N1 Sm1 N2 C14 151.9(2) . .
Si1 Sm1 N2 C14 62.3(2) . .
Si3 Sm1 N2 C14 -51.8(2) . .
C19 Si1 N3 Si2 -71.9(2) . .
C18 Si1 N3 Si2 53.0(2) . .
C17 Si1 N3 Si2 169.81(18) . .
Sm1 Si1 N3 Si2 177.9(2) . .
C19 Si1 N3 Sm1 110.19(17) . .
C18 Si1 N3 Sm1 -124.87(18) . .
C17 Si1 N3 Sm1 -8.11(18) . .
C22 Si2 N3 Si1 -66.1(2) . .
C21 Si2 N3 Si1 55.3(2) . .
C20 Si2 N3 Si1 173.90(18) . .
C22 Si2 N3 Sm1 111.40(19) . .
C21 Si2 N3 Sm1 -127.19(19) . .
C20 Si2 N3 Sm1 -8.6(2) . .
N4 Sm1 N3 Si1 144.80(12) . .
N1 Sm1 N3 Si1 -73.81(13) . .
N2 Sm1 N3 Si1 12.7(2) . .
Si3 Sm1 N3 Si1 119.92(11) . .
N4 Sm1 N3 Si2 -33.01(18) . .
N1 Sm1 N3 Si2 108.38(16) . .
N2 Sm1 N3 Si2 -165.14(13) . .
Si1 Sm1 N3 Si2 -177.8(3) . .
Si3 Sm1 N3 Si2 -57.90(15) . .
C28 Si4 N4 Si3 -83.3(2) . .
C27 Si4 N4 Si3 39.7(3) . .
C26 Si4 N4 Si3 158.2(2) . .
C28 Si4 N4 Sm1 93.84(19) . .
C27 Si4 N4 Sm1 -143.2(2) . .
C26 Si4 N4 Sm1 -24.7(2) . .
C24 Si3 N4 Si4 49.7(3) . .
C25 Si3 N4 Si4 -72.8(2) . .
C23 Si3 N4 Si4 170.52(18) . .
Sm1 Si3 N4 Si4 177.3(3) . .
C24 Si3 N4 Sm1 -127.62(17) . .
C25 Si3 N4 Sm1 109.87(17) . .
C23 Si3 N4 Sm1 -6.79(19) . .
N3 Sm1 N4 Si4 120.08(15) . .
N1 Sm1 N4 Si4 -9.6(2) . .
N2 Sm1 N4 Si4 -86.89(16) . .
Si1 Sm1 N4 Si4 142.62(11) . .
Si3 Sm1 N4 Si4 -177.4(3) . .
N3 Sm1 N4 Si3 -62.49(15) . .
N1 Sm1 N4 Si3 167.82(11) . .
N2 Sm1 N4 Si3 90.54(14) . .
Si1 Sm1 N4 Si3 -39.95(18) . .
C6 N1 C2 C3 157.0(3) . .
Sm1 N1 C2 C3 -29.0(4) . .
C6 N1 C2 C1 -21.3(5) . .
Sm1 N1 C2 C1 152.7(3) . .
N1 C2 C3 C4 -21.9(6) . .
C1 C2 C3 C4 156.5(4) . .
C14 N2 C4 C3 -172.7(3) . .
Sm1 N2 C4 C3 31.1(4) . .
C14 N2 C4 C5 4.8(5) . .
Sm1 N2 C4 C5 -151.4(3) . .
C2 C3 C4 N2 19.6(6) . .
C2 C3 C4 C5 -158.0(4) . .
C2 N1 C6 C11 -76.9(4) . .
Sm1 N1 C6 C11 109.7(3) . .
C2 N1 C6 C7 104.5(4) . .
Sm1 N1 C6 C7 -68.9(4) . .
C11 C6 C7 C8 -1.1(5) . .
N1 C6 C7 C8 177.5(3) . .
C11 C6 C7 C12 177.3(3) . .
N1 C6 C7 C12 -4.1(5) . .
C6 C7 C8 C9 -0.8(6) . .
C12 C7 C8 C9 -179.2(4) . .
C7 C8 C9 C10 1.6(7) . .
C8 C9 C10 C11 -0.6(7) . .
C9 C10 C11 C6 -1.2(6) . .
C9 C10 C11 C13 179.4(4) . .
C7 C6 C11 C10 2.1(5) . .
N1 C6 C11 C10 -176.5(3) . .
C7 C6 C11 C13 -178.6(3) . .
N1 C6 C11 C13 2.8(5) . .
C4 N2 C14 C15 107.3(4) . .
Sm1 N2 C14 C15 -98.0(3) . .
C4 N2 C14 C16 -75.4(4) . 2_656
Sm1 N2 C14 C16 79.3(4) . 2_656
C16 C14 C15 C16 -1.0(6) 2_656 .
N2 C14 C15 C16 176.3(3) . .
C14 C15 C16 C14 1.1(6) . 2_656
