#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:49:12 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178583 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/94/4069438.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_4069438
loop_
_publ_author_name
'Zhu, Xiancui'
'Fan, Jiaxi'
'Wu, Yunjun'
'Wang, Shaowu'
'Zhang, Lijun'
'Yang, Gaosheng'
'Wei, Yun'
'Yin, Chengwei'
'Zhu, Hong'
'Wu, Shihong'
'Zhang, Hongtao'
_publ_section_title
;
 Synthesis, Characterization, Selective Catalytic Activity, and Reactivity
 of Rare Earth Metal Amides with Different Metal−Nitrogen Bonds
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3882
_journal_paper_doi               10.1021/om900191j
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C44 H80 N6 O2 Si8 Sm2'
_chemical_formula_weight         1250.56
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                113.385(2)
_cell_angle_beta                 95.885(2)
_cell_angle_gamma                104.396(2)
_cell_formula_units_Z            2
_cell_length_a                   11.4255(17)
_cell_length_b                   15.649(2)
_cell_length_c                   19.306(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2989.2(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.959
_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  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25484
_diffrn_reflns_theta_full        27.66
_diffrn_reflns_theta_max         27.66
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    2.142
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1276
_refine_diff_density_max         2.990
_refine_diff_density_min         -1.384
_refine_diff_density_rms         0.153
_refine_ls_extinction_coef       0.00000(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     580
_refine_ls_number_reflns         13368
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0517
_refine_ls_shift/su_max          2.591
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0235P)²+34.4198P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1481
_refine_ls_wR_factor_ref         0.1535
_reflns_number_gt                11037
_reflns_number_total             13368
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900191j_si_003.cif
_cod_data_source_block           080115a_(9)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2989.1(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4069438
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 0.97449(3) 0.86589(3) 0.45200(2) 0.03394(11) Uani 1 1 d .
Sm2 Sm 0.58858(4) 0.12969(3) 0.02659(2) 0.03222(10) Uani 1 1 d .
Si2 Si 0.7880(2) 0.93366(16) 0.56409(13) 0.0386(5) Uani 1 1 d .
C23 C 0.7914(8) 0.2070(6) 0.1895(4) 0.0404(17) Uani 1 1 d .
C28 C 0.8303(9) 0.1261(7) 0.1718(6) 0.055(2) Uani 1 1 d .
H28 H 0.7746 0.0651 0.1375 0.066 Uiso 1 1 calc R
C24 C 0.8801(9) 0.2970(7) 0.2410(6) 0.059(2) Uani 1 1 d .
H24 H 0.8591 0.3543 0.2543 0.071 Uiso 1 1 calc R
C26 C 1.0318(10) 0.2210(9) 0.2529(7) 0.066(3) Uani 1 1 d .
H26 H 1.1117 0.2258 0.2735 0.079 Uiso 1 1 calc R
C25 C 0.9966(10) 0.3029(8) 0.2723(6) 0.068(3) Uani 1 1 d .
H25 H 1.0523 0.3636 0.3072 0.081 Uiso 1 1 calc R
C27 C 0.9477(10) 0.1305(8) 0.2020(7) 0.070(3) Uani 1 1 d .
H27 H 0.9699 0.0737 0.1885 0.084 Uiso 1 1 calc R
C1 C 0.8027(8) 0.7736(7) 0.2751(5) 0.0465(19) Uani 1 1 d .
C2 C 0.7518(11) 0.6812(8) 0.2156(6) 0.068(3) Uani 1 1 d .
H2 H 0.7134 0.6293 0.2262 0.081 Uiso 1 1 calc R
C4 C 0.8122(13) 0.7383(11) 0.1221(7) 0.085(4) Uani 1 1 d .
H4 H 0.8158 0.7263 0.0713 0.102 Uiso 1 1 calc R
C6 C 0.8568(11) 0.8475(8) 0.2558(6) 0.067(3) Uani 1 1 d .
H6 H 0.8906 0.9112 0.2950 0.081 Uiso 1 1 calc R
C5 C 0.8629(14) 0.8308(10) 0.1803(7) 0.086(4) Uani 1 1 d .
H5 H 0.9013 0.8825 0.1696 0.103 Uiso 1 1 calc R
C3 C 0.7566(12) 0.6637(10) 0.1387(6) 0.078(3) Uani 1 1 d .
H3 H 0.7214 0.6005 0.0990 0.094 Uiso 1 1 calc R
C14 C 0.6224(10) 0.7167(7) 0.5474(7) 0.064(3) Uani 1 1 d .
H14 H 0.5710 0.7556 0.5537 0.077 Uiso 1 1 calc R
C9 C 0.7238(8) 0.7340(6) 0.5156(5) 0.0454(19) Uani 1 1 d .
C10 C 0.7959(9) 0.6747(7) 0.5071(6) 0.056(2) Uani 1 1 d .
H10 H 0.8642 0.6851 0.4856 0.068 Uiso 1 1 calc R
C13 C 0.5971(13) 0.6408(9) 0.5700(8) 0.084(4) Uani 1 1 d .
H13 H 0.5286 0.6292 0.5911 0.101 Uiso 1 1 calc R
C12 C 0.6716(13) 0.5842(9) 0.5615(8) 0.086(4) Uani 1 1 d .
H12 H 0.6552 0.5345 0.5775 0.103 Uiso 1 1 calc R
C11 C 0.7713(11) 0.6001(8) 0.5293(8) 0.081(4) Uani 1 1 d .
H11 H 0.8221 0.5606 0.5225 0.097 Uiso 1 1 calc R
Si8 Si 0.5876(2) 0.1946(2) -0.11740(15) 0.0509(6) Uani 1 1 d .
Si7 Si 0.8322(3) 0.2976(2) 0.00315(16) 0.0561(6) Uani 1 1 d .
N6 N 0.6724(6) 0.1993(5) 0.1544(4) 0.0429(15) Uani 1 1 d .
N5 N 0.6818(6) 0.2176(5) -0.0341(4) 0.0446(16) Uani 1 1 d .
C43 C 0.4355(10) 0.1061(9) -0.1261(7) 0.078(3) Uani 1 1 d .
H43A H 0.4485 0.0475 -0.1267 0.118 Uiso 1 1 calc R
H43B H 0.3792 0.0898 -0.1732 0.118 Uiso 1 1 calc R
H43C H 0.4010 0.1357 -0.0827 0.118 Uiso 1 1 calc R
Si3 Si 1.1755(2) 0.78739(19) 0.53309(15) 0.0476(5) Uani 1 1 d .
Si4 Si 1.0908(3) 0.67495(19) 0.35863(16) 0.0566(6) Uani 1 1 d .
N3 N 1.0936(6) 0.7664(5) 0.4462(4) 0.0410(14) Uani 1 1 d .
Si6 Si 0.5671(2) 0.24195(17) 0.20259(13) 0.0440(5) Uani 1 1 d .
C42 C 0.6379(12) 0.1332(10) -0.2085(6) 0.081(3) Uani 1 1 d .
H42A H 0.6910 0.1821 -0.2195 0.121 Uiso 1 1 calc R
H42B H 0.5664 0.0949 -0.2506 0.121 Uiso 1 1 calc R
H42C H 0.6824 0.0912 -0.2023 0.121 Uiso 1 1 calc R
C44 C 0.5550(14) 0.3051(10) -0.1181(9) 0.097(4) Uani 1 1 d .
H44A H 0.5276 0.3376 -0.0722 0.145 Uiso 1 1 calc R
H44B H 0.4914 0.2855 -0.1630 0.145 Uiso 1 1 calc R
H44C H 0.6292 0.3490 -0.1195 0.145 Uiso 1 1 calc R
C31 C 0.4012(8) 0.2919(6) 0.1275(5) 0.0453(19) Uani 1 1 d .
C32 C 0.3133(10) 0.3192(7) 0.1679(7) 0.065(3) Uani 1 1 d .
H32 H 0.2782 0.2842 0.1939 0.078 Uiso 1 1 calc R
C36 C 0.4523(11) 0.3471(7) 0.0896(6) 0.065(3) Uani 1 1 d .
H36 H 0.5115 0.3307 0.0617 0.077 Uiso 1 1 calc R
C33 C 0.2771(13) 0.3975(8) 0.1701(9) 0.090(4) Uani 1 1 d .
H33 H 0.2176 0.4143 0.1976 0.108 Uiso 1 1 calc R
N4 N 0.4414(6) 0.2102(4) 0.1240(4) 0.0386(14) Uani 1 1 d .
C30 C 0.6152(11) 0.3759(7) 0.2651(6) 0.073(3) Uani 1 1 d .
H30A H 0.6758 0.3922 0.3105 0.109 Uiso 1 1 calc R
H30B H 0.5442 0.3941 0.2803 0.109 Uiso 1 1 calc R
H30C H 0.6504 0.4106 0.2371 0.109 Uiso 1 1 calc R
C29 C 0.5221(11) 0.1796(10) 0.2649(6) 0.078(3) Uani 1 1 d .
H29A H 0.5011 0.1099 0.2351 0.117 Uiso 1 1 calc R
H29B H 0.4518 0.1949 0.2837 0.117 Uiso 1 1 calc R
H29C H 0.5903 0.2019 0.3079 0.117 Uiso 1 1 calc R
C15 C 0.8251(10) 0.9368(7) 0.6610(5) 0.060(2) Uani 1 1 d .
H15A H 0.8842 0.9028 0.6616 0.090 Uiso 1 1 calc R
H15B H 0.7507 0.9056 0.6721 0.090 Uiso 1 1 calc R
H15C H 0.8595 1.0038 0.6995 0.090 Uiso 1 1 calc R
C16 C 0.6687(10) 0.9957(7) 0.5654(7) 0.065(3) Uani 1 1 d .
H16A H 0.7007 1.0620 0.6051 0.098 Uiso 1 1 calc R
H16B H 0.5958 0.9612 0.5758 0.098 Uiso 1 1 calc R
H16C H 0.6480 0.9959 0.5160 0.098 Uiso 1 1 calc R
N1 N 0.8051(7) 0.7919(5) 0.3533(4) 0.0457(16) Uani 1 1 d .
Si1 Si 0.6780(2) 0.76854(18) 0.38941(14) 0.0459(5) Uani 1 1 d .
N2 N 0.7472(6) 0.8112(5) 0.4900(4) 0.0383(14) Uani 1 1 d .
C35 C 0.4140(16) 0.4266(9) 0.0941(9) 0.098(5) Uani 1 1 d .
H35 H 0.4489 0.4642 0.0698 0.117 Uiso 1 1 calc R
C34 C 0.3252(14) 0.4497(9) 0.1340(10) 0.098(5) Uani 1 1 d .
H34 H 0.2986 0.5019 0.1359 0.117 Uiso 1 1 calc R
C19 C 1.3479(9) 0.8352(10) 0.5461(7) 0.077(3) Uani 1 1 d .
H19A H 1.3747 0.7871 0.5080 0.115 Uiso 1 1 calc R
H19B H 1.3884 0.8484 0.5970 0.115 Uiso 1 1 calc R
H19C H 1.3689 0.8947 0.5398 0.115 Uiso 1 1 calc R
C18 C 1.1427(12) 0.6771(10) 0.5531(8) 0.086(4) Uani 1 1 d .
H18A H 1.0547 0.6491 0.5453 0.129 Uiso 1 1 calc R
H18B H 1.1821 0.6962 0.6057 0.129 Uiso 1 1 calc R
H18C H 1.1743 0.6294 0.5186 0.129 Uiso 1 1 calc R
C17 C 1.1305(12) 0.8845(10) 0.6085(6) 0.087(4) Uani 1 1 d .
H17A H 1.1452 0.9412 0.5985 0.130 Uiso 1 1 calc R
H17B H 1.1789 0.9022 0.6587 0.130 Uiso 1 1 calc R
H17C H 1.0440 0.8601 0.6072 0.130 Uiso 1 1 calc R
C22 C 1.0969(14) 0.7231(11) 0.2845(7) 0.095(4) Uani 1 1 d .
H22A H 1.0805 0.7846 0.3040 0.143 Uiso 1 1 calc R
H22B H 1.0357 0.6769 0.2380 0.143 Uiso 1 1 calc R
H22C H 1.1778 0.7325 0.2732 0.143 Uiso 1 1 calc R
C21 C 0.9410(15) 0.5703(8) 0.3256(8) 0.106(5) Uani 1 1 d .
H21A H 0.9405 0.5386 0.3592 0.158 Uiso 1 1 calc R
H21B H 0.9344 0.5238 0.2735 0.158 Uiso 1 1 calc R
H21C H 0.8722 0.5953 0.3272 0.158 Uiso 1 1 calc R
C39 C 0.8389(15) 0.4075(9) 0.0925(9) 0.110(5) Uani 1 1 d .
H39A H 0.7878 0.4418 0.0797 0.165 Uiso 1 1 calc R
H39B H 0.9230 0.4502 0.1138 0.165 Uiso 1 1 calc R
H39C H 0.8093 0.3868 0.1299 0.165 Uiso 1 1 calc R
C40 C 0.9371(11) 0.2356(10) 0.0297(8) 0.089(4) Uani 1 1 d .
H40A H 0.9129 0.2193 0.0702 0.134 Uiso 1 1 calc R
H40B H 1.0210 0.2789 0.0473 0.134 Uiso 1 1 calc R
H40C H 0.9312 0.1767 -0.0149 0.134 Uiso 1 1 calc R
C41 C 0.8975(13) 0.3436(11) -0.0649(8) 0.105(5) Uani 1 1 d .
H41A H 0.8933 0.2889 -0.1123 0.157 Uiso 1 1 calc R
H41B H 0.9823 0.3839 -0.0417 0.157 Uiso 1 1 calc R
H41C H 0.8503 0.3816 -0.0756 0.157 Uiso 1 1 calc R
C20 C 1.2209(15) 0.6233(12) 0.3603(10) 0.129(7) Uani 1 1 d .
H20A H 1.2963 0.6698 0.3630 0.194 Uiso 1 1 calc R
H20B H 1.2033 0.5635 0.3139 0.194 Uiso 1 1 calc R
H20C H 1.2302 0.6101 0.4046 0.194 Uiso 1 1 calc R
Si5 Si 0.3207(2) 0.09492(15) 0.07461(13) 0.0379(4) Uani 1 1 d .
C37 C 0.2441(10) 0.0466(7) 0.1381(6) 0.065(3) Uani 1 1 d .
H37A H 0.1696 -0.0067 0.1076 0.097 Uiso 1 1 calc R
H37B H 0.2238 0.0979 0.1776 0.097 Uiso 1 1 calc R
H37C H 0.2993 0.0237 0.1619 0.097 Uiso 1 1 calc R
C38 C 0.1982(9) 0.1046(7) 0.0110(6) 0.060(2) Uani 1 1 d .
H38A H 0.2344 0.1298 -0.0226 0.091 Uiso 1 1 calc R
H38B H 0.1581 0.1483 0.0420 0.091 Uiso 1 1 calc R
H38C H 0.1384 0.0409 -0.0197 0.091 Uiso 1 1 calc R
C7 C 0.5813(10) 0.6379(8) 0.3504(7) 0.072(3) Uani 1 1 d .
H7A H 0.5392 0.6153 0.2977 0.108 Uiso 1 1 calc R
H7B H 0.5214 0.6320 0.3810 0.108 Uiso 1 1 calc R
H7C H 0.6334 0.5989 0.3524 0.108 Uiso 1 1 calc R
C8 C 0.5734(12) 0.8359(10) 0.3734(7) 0.081(4) Uani 1 1 d .
H8A H 0.6203 0.9038 0.3912 0.121 Uiso 1 1 calc R
H8B H 0.5095 0.8309 0.4015 0.121 Uiso 1 1 calc R
H8C H 0.5364 0.8080 0.3191 0.121 Uiso 1 1 calc R
O2 O 0.3948(5) 0.0236(4) 0.0237(3) 0.0353(11) Uani 1 1 d .
O1 O 0.9125(5) 0.9901(4) 0.5446(3) 0.0361(11) Uani 1 1 d .
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'
Sm Sm -0.1638 3.4418 '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'
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
N1 Sm1 O1 110.2(2) . 2_776
N1 Sm1 N3 112.3(2) . .
O1 Sm1 N3 111.1(2) 2_776 .
N1 Sm1 O1 101.3(2) . .
O1 Sm1 O1 74.21(19) 2_776 .
N3 Sm1 O1 140.3(2) . .
N1 Sm1 N2 63.8(2) . .
O1 Sm1 N2 131.63(18) 2_776 .
N3 Sm1 N2 115.2(2) . .
O1 Sm1 N2 61.57(18) . .
N1 Sm1 Sm1 109.70(18) . 2_776
O1 Sm1 Sm1 38.09(12) 2_776 2_776
N3 Sm1 Sm1 135.55(17) . 2_776
O1 Sm1 Sm1 36.12(12) . 2_776
N2 Sm1 Sm1 95.84(13) . 2_776
N6 Sm2 O2 107.0(2) . 2_655
N6 Sm2 N5 112.7(3) . .
O2 Sm2 N5 110.9(2) 2_655 .
N6 Sm2 O2 99.1(2) . .
O2 Sm2 O2 74.40(19) 2_655 .
N5 Sm2 O2 143.3(2) . .
N6 Sm2 N4 64.0(2) . .
O2 Sm2 N4 131.10(17) 2_655 .
N5 Sm2 N4 116.8(2) . .
O2 Sm2 N4 61.26(17) . .
N6 Sm2 Sm2 106.32(17) . 2_655
O2 Sm2 Sm2 38.37(12) 2_655 2_655
N5 Sm2 Sm2 137.28(18) . 2_655
O2 Sm2 Sm2 36.03(11) . 2_655
N4 Sm2 Sm2 95.26(12) . 2_655
O1 Si2 N2 102.5(3) . .
O1 Si2 C15 110.6(4) . .
N2 Si2 C15 110.5(4) . .
O1 Si2 C16 110.3(4) . .
N2 Si2 C16 115.5(4) . .
C15 Si2 C16 107.4(5) . .
C28 C23 C24 115.4(8) . .
C28 C23 N6 121.4(8) . .
C24 C23 N6 123.1(8) . .
C23 C28 C27 123.5(9) . .
C25 C24 C23 122.0(9) . .
C25 C26 C27 119.4(10) . .
C26 C25 C24 120.8(10) . .
C28 C27 C26 118.9(10) . .
C2 C1 C6 116.9(9) . .
C2 C1 N1 121.8(9) . .
C6 C1 N1 121.2(8) . .
C1 C2 C3 120.8(11) . .
C3 C4 C5 119.5(11) . .
C1 C6 C5 122.6(11) . .
C4 C5 C6 119.5(12) . .
C4 C3 C2 120.6(11) . .
C9 C14 C13 120.1(10) . .
C10 C9 C14 117.8(8) . .
C10 C9 N2 122.5(8) . .
C14 C9 N2 119.7(8) . .
C9 C10 C11 122.3(10) . .
C12 C13 C14 120.4(11) . .
C13 C12 C11 119.9(10) . .
C12 C11 C10 119.6(11) . .
N5 Si8 C44 113.7(6) . .
N5 Si8 C42 116.0(5) . .
C44 Si8 C42 107.6(6) . .
N5 Si8 C43 106.5(4) . .
C44 Si8 C43 107.1(6) . .
C42 Si8 C43 105.3(6) . .
N5 Si7 C41 114.2(5) . .
N5 Si7 C40 109.8(5) . .
C41 Si7 C40 107.4(7) . .
N5 Si7 C39 110.0(6) . .
C41 Si7 C39 107.1(7) . .
C40 Si7 C39 108.2(7) . .
C23 N6 Si6 125.3(5) . .
C23 N6 Sm2 126.5(5) . .
Si6 N6 Sm2 108.2(3) . .
Si8 N5 Si7 125.5(4) . .
Si8 N5 Sm2 112.2(3) . .
Si7 N5 Sm2 122.3(4) . .
N3 Si3 C17 106.4(4) . .
N3 Si3 C18 113.9(5) . .
C17 Si3 C18 108.4(6) . .
N3 Si3 C19 113.7(4) . .
C17 Si3 C19 107.0(6) . .
C18 Si3 C19 107.1(6) . .
N3 Si4 C20 114.2(6) . .
N3 Si4 C22 109.5(5) . .
C20 Si4 C22 107.8(8) . .
N3 Si4 C21 109.7(5) . .
C20 Si4 C21 107.5(8) . .
C22 Si4 C21 107.8(7) . .
Si3 N3 Si4 124.6(4) . .
Si3 N3 Sm1 115.2(3) . .
Si4 N3 Sm1 120.1(4) . .
N6 Si6 N4 101.5(3) . .
N6 Si6 C30 116.3(4) . .
N4 Si6 C30 109.0(5) . .
N6 Si6 C29 110.7(5) . .
N4 Si6 C29 112.4(4) . .
C30 Si6 C29 107.0(6) . .
C32 C31 C36 117.7(8) . .
C32 C31 N4 122.4(8) . .
C36 C31 N4 119.9(8) . .
C33 C32 C31 120.9(11) . .
C35 C36 C31 119.6(11) . .
C34 C33 C32 121.5(12) . .
C31 N4 Si5 113.1(5) . .
C31 N4 Si6 113.8(5) . .
Si5 N4 Si6 125.9(4) . .
C31 N4 Sm2 125.0(5) . .
Si5 N4 Sm2 88.3(2) . .
Si6 N4 Sm2 86.3(3) . .
C1 N1 Si1 125.0(6) . .
C1 N1 Sm1 126.5(6) . .
Si1 N1 Sm1 108.4(3) . .
N1 Si1 N2 101.4(3) . .
N1 Si1 C8 110.6(5) . .
N2 Si1 C8 113.3(4) . .
N1 Si1 C7 116.6(5) . .
N2 Si1 C7 108.5(4) . .
C8 Si1 C7 106.6(6) . .
C9 N2 Si2 116.1(5) . .
C9 N2 Si1 113.3(5) . .
Si2 N2 Si1 126.5(4) . .
C9 N2 Sm1 118.3(5) . .
Si2 N2 Sm1 87.8(2) . .
Si1 N2 Sm1 86.3(2) . .
C34 C35 C36 120.3(12) . .
C33 C34 C35 120.0(11) . .
O2 Si5 N4 101.7(3) . .
O2 Si5 C38 111.0(4) . .
N4 Si5 C38 109.8(4) . .
O2 Si5 C37 111.7(4) . .
N4 Si5 C37 115.5(4) . .
C38 Si5 C37 107.0(5) . .
Si5 O2 Sm2 145.9(3) . 2_655
Si5 O2 Sm2 106.6(2) . .
Sm2 O2 Sm2 105.60(19) 2_655 .
Si2 O1 Sm1 145.5(3) . 2_776
Si2 O1 Sm1 106.7(2) . .
Sm1 O1 Sm1 105.79(19) 2_776 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 N1 2.257(7) .
Sm1 O1 2.274(5) 2_776
Sm1 N3 2.288(6) .
Sm1 O1 2.379(5) .
Sm1 N2 2.792(6) .
Sm1 Sm1 3.7119(9) 2_776
Sm2 N6 2.249(7) .
Sm2 O2 2.270(5) 2_655
Sm2 N5 2.282(6) .
Sm2 O2 2.395(5) .
Sm2 N4 2.788(6) .
Sm2 Sm2 3.7159(9) 2_655
Si2 O1 1.641(5) .
Si2 N2 1.783(7) .
Si2 C15 1.854(9) .
Si2 C16 1.856(10) .
C23 C28 1.373(12) .
C23 C24 1.404(12) .
C23 N6 1.409(10) .
C28 C27 1.381(13) .
C24 C25 1.369(14) .
C26 C25 1.359(15) .
C26 C27 1.386(15) .
C1 C2 1.368(13) .
C1 C6 1.374(13) .
C1 N1 1.417(10) .
C2 C3 1.410(14) .
C4 C3 1.356(18) .
C4 C5 1.361(18) .
C6 C5 1.388(15) .
C14 C9 1.383(12) .
C14 C13 1.397(14) .
C9 C10 1.361(13) .
C9 N2 1.455(10) .
C10 C11 1.372(13) .
C13 C12 1.350(18) .
C12 C11 1.369(18) .
Si8 N5 1.694(7) .
Si8 C44 1.861(11) .
Si8 C42 1.868(12) .
Si8 C43 1.877(11) .
Si7 N5 1.731(7) .
Si7 C41 1.866(11) .
Si7 C40 1.868(13) .
Si7 C39 1.868(14) .
N6 Si6 1.701(7) .
Si3 N3 1.699(7) .
Si3 C17 1.866(11) .
Si3 C18 1.873(11) .
Si3 C19 1.877(10) .
Si4 N3 1.718(7) .
Si4 C20 1.863(13) .
Si4 C22 1.863(13) .
Si4 C21 1.890(14) .
Si6 N4 1.793(7) .
Si6 C30 1.853(10) .
Si6 C29 1.863(10) .
C31 C32 1.381(12) .
C31 C36 1.400(12) .
C31 N4 1.441(10) .
C32 C33 1.373(14) .
C36 C35 1.394(15) .
C33 C34 1.327(19) .
N4 Si5 1.787(7) .
N1 Si1 1.696(7) .
Si1 N2 1.799(7) .
Si1 C8 1.857(10) .
Si1 C7 1.858(10) .
C35 C34 1.37(2) .
Si5 O2 1.642(5) .
Si5 C38 1.842(9) .
Si5 C37 1.863(9) .
O2 Sm2 2.270(5) 2_655
O1 Sm1 2.274(5) 2_776
