#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:49:17 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178669 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/80/4078022.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_4078022
loop_
_publ_author_name
'Zhang, Jie'
'Qiu, Jinshui'
'Yao, Yingming'
'Zhang, Yong'
'Wang, Yaorong'
'Shen, Qi'
_publ_section_title
;
 Synthesis and Characterization of Lanthanide Amides Bearing Aminophenoxy
 Ligands and Their Catalytic Activity for the Polymerization of Lactides
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              3138
_journal_paper_doi               10.1021/om300036a
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C60 H104 La2 N6 O4 Si4, 2(C7 H8)'
_chemical_formula_sum            'C74 H120 La2 N6 O4 Si4'
_chemical_formula_weight         1547.94
_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                108.887(3)
_cell_angle_beta                 92.534(3)
_cell_angle_gamma                101.661(3)
_cell_formula_units_Z            1
_cell_length_a                   10.0939(16)
_cell_length_b                   14.244(3)
_cell_length_c                   15.441(3)
_cell_measurement_reflns_used    9069
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2042.7(7)
_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  0.0438
_diffrn_reflns_av_sigmaI/netI    0.0618
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17267
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    1.136
_exptl_absorpt_correction_T_max  0.650
_exptl_absorpt_correction_T_min  0.422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.161
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         7523
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0476
_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)+(0.0717P)²+0.0499P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1197
_refine_ls_wR_factor_ref         0.1246
_reflns_number_gt                6725
_reflns_number_total             7523
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300036a_si_001.cif
_cod_data_source_block           complex6
_cod_original_cell_volume        2042.7(6)
_cod_database_code               4078022
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
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.98252(2) 0.111170(17) 0.462842(16) 0.02587(11) Uani 1 1 d . . .
Si1 Si 0.73269(14) 0.19354(11) 0.33903(10) 0.0414(3) Uani 1 1 d . . .
Si2 Si 0.95798(17) 0.11880(12) 0.24073(10) 0.0464(4) Uani 1 1 d . . .
O1 O 0.8961(3) 0.2083(2) 0.5808(2) 0.0324(7) Uani 1 1 d . . .
O2 O 1.1735(3) 0.2738(2) 0.4862(3) 0.0448(8) Uani 1 1 d . . .
N1 N 0.8177(3) -0.0125(3) 0.5235(2) 0.0266(8) Uani 1 1 d . . .
N2 N 0.8694(4) -0.0937(3) 0.3825(2) 0.0272(8) Uani 1 1 d . . .
N3 N 0.8733(4) 0.1438(3) 0.3357(3) 0.0356(9) Uani 1 1 d . . .
C1 C 0.8517(4) 0.2090(3) 0.6618(3) 0.0298(10) Uani 1 1 d . . .
C2 C 0.8817(5) 0.2985(3) 0.7411(3) 0.0354(11) Uani 1 1 d . . .
C3 C 0.8371(5) 0.2907(4) 0.8235(3) 0.0400(11) Uani 1 1 d . . .
H3 H 0.8592 0.3494 0.8765 0.048 Uiso 1 1 calc R . .
C4 C 0.7626(5) 0.2020(4) 0.8318(3) 0.0375(11) Uani 1 1 d . . .
C5 C 0.7289(5) 0.1169(3) 0.7522(3) 0.0328(10) Uani 1 1 d . . .
H5 H 0.6756 0.0561 0.7555 0.039 Uiso 1 1 calc R . .
C6 C 0.7706(4) 0.1179(3) 0.6681(3) 0.0303(10) Uani 1 1 d . . .
C7 C 0.7163(4) 0.0256(3) 0.5834(3) 0.0294(9) Uani 1 1 d . . .
H7A H 0.6687 -0.0297 0.6031 0.035 Uiso 1 1 calc R . .
H7B H 0.6488 0.0419 0.5464 0.035 Uiso 1 1 calc R . .
C8 C 0.7669(4) -0.0738(3) 0.4358(3) 0.0263(9) Uani 1 1 d . . .
C9 C 0.6280(4) -0.1142(3) 0.3976(3) 0.0324(10) Uani 1 1 d . . .
H9 H 0.5574 -0.1004 0.4340 0.039 Uiso 1 1 calc R . .
C10 C 0.6000(5) -0.1738(4) 0.3064(3) 0.0409(12) Uani 1 1 d . . .
H10 H 0.5090 -0.2008 0.2795 0.049 Uiso 1 1 calc R . .
C11 C 0.7058(5) -0.1947(4) 0.2531(3) 0.0422(12) Uani 1 1 d . . .
H11 H 0.6870 -0.2361 0.1906 0.051 Uiso 1 1 calc R . .
C12 C 0.8359(5) -0.1542(4) 0.2932(3) 0.0365(11) Uani 1 1 d . . .
H12 H 0.9066 -0.1689 0.2571 0.044 Uiso 1 1 calc R . .
C13 C 0.9587(6) 0.4009(3) 0.7353(4) 0.0455(13) Uani 1 1 d . . .
C14 C 0.9727(8) 0.4885(4) 0.8278(4) 0.072(2) Uani 1 1 d . . .
H14A H 1.0239 0.4743 0.8749 0.109 Uiso 1 1 calc R . .
H14B H 0.8828 0.4944 0.8454 0.109 Uiso 1 1 calc R . .
H14C H 1.0201 0.5518 0.8214 0.109 Uiso 1 1 calc R . .
C15 C 0.8825(7) 0.4276(4) 0.6629(4) 0.0551(15) Uani 1 1 d . . .
H15A H 0.9304 0.4929 0.6607 0.083 Uiso 1 1 calc R . .
H15B H 0.7913 0.4314 0.6786 0.083 Uiso 1 1 calc R . .
H15C H 0.8770 0.3754 0.6032 0.083 Uiso 1 1 calc R . .
C16 C 1.1033(6) 0.3945(4) 0.7128(4) 0.0545(15) Uani 1 1 d . . .
H16A H 1.1518 0.3813 0.7617 0.082 Uiso 1 1 calc R . .
H16B H 1.1506 0.4585 0.7076 0.082 Uiso 1 1 calc R . .
H16C H 1.0993 0.3397 0.6550 0.082 Uiso 1 1 calc R . .
C17 C 0.7167(6) 0.1972(4) 0.9240(3) 0.0454(12) Uani 1 1 d . . .
C18 C 0.5606(8) 0.1835(8) 0.9184(5) 0.105(3) Uani 1 1 d . . .
H18A H 0.5294 0.1729 0.9737 0.158 Uiso 1 1 calc R . .
H18B H 0.5177 0.1250 0.8649 0.158 Uiso 1 1 calc R . .
H18C H 0.5366 0.2441 0.9129 0.158 Uiso 1 1 calc R . .
C19 C 0.7775(9) 0.2905(6) 1.0042(4) 0.088(2) Uani 1 1 d . . .
H19A H 0.8751 0.3089 1.0029 0.132 Uiso 1 1 calc R . .
H19B H 0.7596 0.2774 1.0610 0.132 Uiso 1 1 calc R . .
H19C H 0.7376 0.3460 1.0012 0.132 Uiso 1 1 calc R . .
C20 C 0.7522(10) 0.1067(6) 0.9431(5) 0.101(3) Uani 1 1 d . . .
H20A H 0.8490 0.1105 0.9409 0.151 Uiso 1 1 calc R . .
H20B H 0.7011 0.0441 0.8969 0.151 Uiso 1 1 calc R . .
H20C H 0.7293 0.1077 1.0037 0.151 Uiso 1 1 calc R . .
C21 C 0.6259(6) 0.1678(5) 0.4288(5) 0.0613(16) Uani 1 1 d . . .
H21A H 0.6035 0.0952 0.4183 0.092 Uiso 1 1 calc R . .
H21B H 0.5427 0.1912 0.4251 0.092 Uiso 1 1 calc R . .
H21C H 0.6763 0.2038 0.4895 0.092 Uiso 1 1 calc R . .
C22 C 0.6167(7) 0.1404(6) 0.2279(5) 0.087(2) Uani 1 1 d . . .
H22A H 0.6628 0.1608 0.1808 0.130 Uiso 1 1 calc R . .
H22B H 0.5348 0.1664 0.2364 0.130 Uiso 1 1 calc R . .
H22C H 0.5927 0.0667 0.2090 0.130 Uiso 1 1 calc R . .
C23 C 0.7767(7) 0.3354(4) 0.3676(5) 0.0658(17) Uani 1 1 d . . .
H23A H 0.8338 0.3671 0.4263 0.099 Uiso 1 1 calc R . .
H23B H 0.6937 0.3603 0.3715 0.099 Uiso 1 1 calc R . .
H23C H 0.8252 0.3521 0.3198 0.099 Uiso 1 1 calc R . .
C24 C 1.0015(7) 0.2276(5) 0.1967(4) 0.0690(18) Uani 1 1 d . . .
H24A H 0.9190 0.2479 0.1833 0.103 Uiso 1 1 calc R . .
H24B H 1.0448 0.2068 0.1409 0.103 Uiso 1 1 calc R . .
H24C H 1.0634 0.2847 0.2430 0.103 Uiso 1 1 calc R . .
C25 C 1.1245(7) 0.0902(5) 0.2730(4) 0.0664(18) Uani 1 1 d . . .
H25A H 1.1786 0.1490 0.3220 0.100 Uiso 1 1 calc R . .
H25B H 1.1741 0.0749 0.2197 0.100 Uiso 1 1 calc R . .
H25C H 1.1062 0.0321 0.2939 0.100 Uiso 1 1 calc R . .
C26 C 0.8681(8) 0.0044(5) 0.1404(4) 0.075(2) Uani 1 1 d . . .
H26A H 0.8441 -0.0541 0.1604 0.113 Uiso 1 1 calc R . .
H26B H 0.9276 -0.0095 0.0925 0.113 Uiso 1 1 calc R . .
H26C H 0.7860 0.0177 0.1164 0.113 Uiso 1 1 calc R . .
C27 C 1.1476(6) 0.3591(5) 0.4629(6) 0.0741(10) Uani 1 1 d . . .
H27A H 1.1163 0.4067 0.5148 0.089 Uiso 1 1 calc R . .
H27B H 1.0784 0.3360 0.4093 0.089 Uiso 1 1 calc R . .
C28 C 1.2807(6) 0.4080(5) 0.4415(6) 0.0741(10) Uani 1 1 d . . .
H28A H 1.2911 0.3777 0.3762 0.089 Uiso 1 1 calc R . .
H28B H 1.2891 0.4814 0.4563 0.089 Uiso 1 1 calc R . .
C29 C 1.3822(6) 0.3883(5) 0.5000(6) 0.0741(10) Uani 1 1 d . . .
H29A H 1.4093 0.4455 0.5582 0.089 Uiso 1 1 calc R . .
H29B H 1.4634 0.3786 0.4688 0.089 Uiso 1 1 calc R . .
C30 C 1.3157(6) 0.2942(5) 0.5170(6) 0.0741(10) Uani 1 1 d . . .
H30A H 1.3545 0.2371 0.4830 0.089 Uiso 1 1 calc R . .
H30B H 1.3291 0.3039 0.5829 0.089 Uiso 1 1 calc R . .
C31 C 0.3174(17) 0.3901(16) 0.0581(12) 0.155(3) Uiso 0.50 1 d PD A 1
C31' C 0.4105(18) 0.4223(17) 0.1321(12) 0.155(3) Uiso 0.50 1 d PD B 2
C32 C 0.3208(19) 0.3045(17) 0.0829(13) 0.155(3) Uiso 0.50 1 d PD A 1
C32' C 0.3585(18) 0.3182(16) 0.1131(13) 0.155(3) Uiso 0.50 1 d PD B 2
C33 C 0.416(2) 0.3214(17) 0.1596(16) 0.155(3) Uiso 0.50 1 d PD A 1
C33' C 0.256(2) 0.2671(16) 0.0343(16) 0.155(3) Uiso 0.50 1 d PD B 2
C34 C 0.497(3) 0.4169(18) 0.2080(16) 0.155(3) Uiso 0.50 1 d PD A 1
C34' C 0.212(2) 0.3246(18) -0.0133(17) 0.155(3) Uiso 0.50 1 d PD B 2
C35 C 0.496(3) 0.5053(16) 0.1867(17) 0.155(3) Uiso 0.50 1 d PD A 1
C35' C 0.276(3) 0.4239(18) -0.0062(16) 0.155(3) Uiso 0.50 1 d PD B 2
C36 C 0.401(3) 0.4849(16) 0.1110(17) 0.155(3) Uiso 0.50 1 d PD A 1
C36' C 0.374(3) 0.4715(17) 0.0729(17) 0.155(3) Uiso 0.50 1 d PD B 2
C37 C 0.214(3) 0.373(2) -0.0256(17) 0.155(3) Uiso 0.50 1 d PD A 1
C37' C 0.516(3) 0.4830(18) 0.2181(18) 0.155(3) Uiso 0.50 1 d PD B 2
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'
La La -0.2871 2.4523 '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
O1 La1 N3 100.25(12) . .
O1 La1 N1 73.36(11) . .
N3 La1 N1 112.51(12) . .
O1 La1 O2 86.26(11) . .
N3 La1 O2 88.37(12) . .
N1 La1 O2 152.78(12) . .
O1 La1 N1 125.78(10) . 2_756
N3 La1 N1 133.40(12) . 2_756
N1 La1 N1 89.65(11) . 2_756
O2 La1 N1 87.84(10) . 2_756
O1 La1 N2 121.19(11) . .
N3 La1 N2 90.27(11) . .
N1 La1 N2 49.68(10) . .
O2 La1 N2 152.26(11) . .
N1 La1 N2 73.18(10) 2_756 .
O1 La1 N2 78.37(10) . 2_756
N3 La1 N2 173.88(11) . 2_756
N1 La1 N2 72.95(10) . 2_756
O2 La1 N2 85.59(10) . 2_756
N1 La1 N2 47.44(10) 2_756 2_756
N2 La1 N2 95.55(9) . 2_756
O1 La1 C8 94.03(11) . .
N3 La1 C8 91.67(12) . .
N1 La1 C8 27.38(11) . .
O2 La1 C8 179.70(12) . .
N1 La1 C8 91.91(11) 2_756 .
N2 La1 C8 27.44(11) . .
N2 La1 C8 94.37(10) 2_756 .
O1 La1 Si2 124.94(8) . .
N3 La1 Si2 26.93(10) . .
N1 La1 Si2 125.79(8) . .
O2 La1 Si2 80.66(9) . .
N1 La1 Si2 106.98(8) 2_756 .
N2 La1 Si2 85.68(8) . .
N2 La1 Si2 151.60(8) 2_756 .
C8 La1 Si2 99.25(8) . .
O1 La1 La1 102.93(7) . 2_756
N3 La1 La1 139.35(9) . 2_756
N1 La1 La1 46.07(8) . 2_756
O2 La1 La1 125.86(7) . 2_756
N1 La1 La1 43.57(7) 2_756 2_756
N2 La1 La1 49.12(7) . 2_756
N2 La1 La1 46.42(7) 2_756 2_756
C8 La1 La1 53.98(8) . 2_756
Si2 La1 La1 127.84(3) . 2_756
N3 Si1 C22 113.8(3) . .
N3 Si1 C23 112.7(2) . .
C22 Si1 C23 106.1(3) . .
N3 Si1 C21 111.4(2) . .
C22 Si1 C21 106.0(3) . .
C23 Si1 C21 106.4(3) . .
N3 Si2 C24 114.0(3) . .
N3 Si2 C26 114.8(3) . .
C24 Si2 C26 106.9(3) . .
N3 Si2 C25 108.0(2) . .
C24 Si2 C25 106.8(3) . .
C26 Si2 C25 105.7(3) . .
N3 Si2 La1 40.16(13) . .
C24 Si2 La1 131.2(2) . .
C26 Si2 La1 121.4(2) . .
C25 Si2 La1 68.16(18) . .
C1 O1 La1 140.8(3) . .
C30 O2 C27 108.5(4) . .
C30 O2 La1 129.4(3) . .
C27 O2 La1 122.0(3) . .
C8 N1 C7 115.5(3) . .
C8 N1 La1 91.0(2) . .
C7 N1 La1 119.7(3) . .
C8 N1 La1 94.8(2) . 2_756
C7 N1 La1 134.9(3) . 2_756
La1 N1 La1 90.35(11) . 2_756
C12 N2 C8 118.6(4) . .
C12 N2 La1 131.8(3) . .
C8 N2 La1 84.9(2) . .
C12 N2 La1 133.3(3) . 2_756
C8 N2 La1 88.3(2) . 2_756
La1 N2 La1 84.45(9) . 2_756
Si2 N3 Si1 121.4(2) . .
Si2 N3 La1 112.91(19) . .
Si1 N3 La1 125.5(2) . .
O1 C1 C2 121.9(4) . .
O1 C1 C6 119.2(4) . .
C2 C1 C6 118.9(4) . .
C3 C2 C1 117.8(4) . .
C3 C2 C13 121.5(4) . .
C1 C2 C13 120.6(4) . .
C4 C3 C2 124.0(4) . .
C4 C3 H3 118.0 . .
C2 C3 H3 118.0 . .
C3 C4 C5 117.0(4) . .
C3 C4 C17 122.0(4) . .
C5 C4 C17 121.0(4) . .
C6 C5 C4 122.6(4) . .
C6 C5 H5 118.7 . .
C4 C5 H5 118.7 . .
C5 C6 C1 119.5(4) . .
C5 C6 C7 118.9(4) . .
C1 C6 C7 121.2(4) . .
N1 C7 C6 116.4(4) . .
N1 C7 H7A 108.2 . .
C6 C7 H7A 108.2 . .
N1 C7 H7B 108.2 . .
C6 C7 H7B 108.2 . .
H7A C7 H7B 107.3 . .
N1 C8 N2 111.1(4) . .
N1 C8 C9 128.2(4) . .
N2 C8 C9 120.6(4) . .
N1 C8 La1 61.6(2) . .
N2 C8 La1 67.7(2) . .
C9 C8 La1 138.5(3) . .
C10 C9 C8 118.3(4) . .
C10 C9 H9 120.8 . .
C8 C9 H9 120.8 . .
C9 C10 C11 120.4(4) . .
C9 C10 H10 119.8 . .
C11 C10 H10 119.8 . .
C12 C11 C10 118.7(4) . .
C12 C11 H11 120.7 . .
C10 C11 H11 120.7 . .
N2 C12 C11 123.4(5) . .
N2 C12 H12 118.3 . .
C11 C12 H12 118.3 . .
C15 C13 C16 110.9(5) . .
C15 C13 C2 109.9(4) . .
C16 C13 C2 109.7(4) . .
C15 C13 C14 107.9(5) . .
C16 C13 C14 106.7(5) . .
C2 C13 C14 111.7(5) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C19 C17 C20 108.1(5) . .
C19 C17 C4 113.8(5) . .
C20 C17 C4 110.4(5) . .
C19 C17 C18 107.3(6) . .
C20 C17 C18 108.3(7) . .
C4 C17 C18 108.8(4) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
Si1 C21 H21A 109.5 . .
Si1 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
Si1 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
Si1 C22 H22A 109.5 . .
Si1 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
Si1 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
Si1 C23 H23A 109.5 . .
Si1 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
Si1 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
Si2 C24 H24A 109.5 . .
Si2 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
Si2 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Si2 C25 H25A 109.5 . .
Si2 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
Si2 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Si2 C26 H26A 109.5 . .
Si2 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
Si2 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O2 C27 C28 104.9(5) . .
O2 C27 H27A 110.8 . .
C28 C27 H27A 110.8 . .
O2 C27 H27B 110.8 . .
C28 C27 H27B 110.8 . .
H27A C27 H27B 108.8 . .
C29 C28 C27 104.4(5) . .
C29 C28 H28A 110.9 . .
C27 C28 H28A 110.9 . .
C29 C28 H28B 110.9 . .
C27 C28 H28B 110.9 . .
H28A C28 H28B 108.9 . .
C28 C29 C30 106.0(5) . .
C28 C29 H29A 110.5 . .
C30 C29 H29A 110.5 . .
C28 C29 H29B 110.5 . .
C30 C29 H29B 110.5 . .
H29A C29 H29B 108.7 . .
O2 C30 C29 107.0(5) . .
O2 C30 H30A 110.3 . .
C29 C30 H30A 110.3 . .
O2 C30 H30B 110.3 . .
C29 C30 H30B 110.3 . .
H30A C30 H30B 108.6 . .
C32 C31 C36 119.6(17) . .
C32 C31 C37 116.1(16) . .
C36 C31 C37 124(2) . .
C32' C31' C36' 121.2(17) . .
C32' C31' C37' 119.3(16) . .
C36' C31' C37' 119.5(19) . .
C31 C32 C33 115.3(17) . .
C31' C32' C33' 116.4(17) . .
C34 C33 C32 122.0(18) . .
C34' C33' C32' 118.6(18) . .
C33 C34 C35 125.0(19) . .
C33' C34' C35' 125.9(19) . .
C36 C35 C34 110.9(18) . .
C34' C35' C36' 112.0(17) . .
C35 C36 C31 127.1(19) . .
C31' C36' C35' 124.1(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O1 2.234(3) .
La1 N3 2.427(4) .
La1 N1 2.601(3) .
La1 O2 2.609(3) .
La1 N1 2.718(3) 2_756
La1 N2 2.747(3) .
La1 N2 2.867(3) 2_756
La1 C8 2.957(4) .
La1 Si2 3.4660(15) .
La1 La1 3.7736(7) 2_756
Si1 N3 1.706(4) .
Si1 C22 1.874(6) .
Si1 C23 1.875(6) .
Si1 C21 1.877(6) .
Si2 N3 1.704(4) .
Si2 C24 1.868(6) .
Si2 C26 1.877(6) .
Si2 C25 1.890(6) .
O1 C1 1.344(5) .
O2 C30 1.432(7) .
O2 C27 1.441(7) .
N1 C8 1.361(5) .
N1 C7 1.477(6) .
N1 La1 2.718(3) 2_756
N2 C12 1.353(6) .
N2 C8 1.368(6) .
N2 La1 2.867(3) 2_756
C1 C2 1.421(6) .
C1 C6 1.422(6) .
C2 C3 1.399(7) .
C2 C13 1.540(7) .
C3 C4 1.380(7) .
C3 H3 0.9400 .
C4 C5 1.388(6) .
C4 C17 1.536(7) .
C5 C6 1.386(6) .
C5 H5 0.9400 .
C6 C7 1.507(6) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C8 C9 1.423(6) .
C9 C10 1.370(6) .
C9 H9 0.9400 .
C10 C11 1.399(7) .
C10 H10 0.9400 .
C11 C12 1.353(7) .
C11 H11 0.9400 .
C12 H12 0.9400 .
C13 C15 1.517(7) .
C13 C16 1.529(8) .
C13 C14 1.541(7) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C14 H14C 0.9700 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 H15C 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C16 H16C 0.9700 .
C17 C19 1.489(8) .
C17 C20 1.516(9) .
C17 C18 1.542(9) .
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 C28 1.486(8) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C28 C29 1.464(9) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C29 C30 1.483(8) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C31 C32 1.397(16) .
C31 C36 1.401(13) .
C31 C37 1.549(17) .
C31' C32' 1.397(16) .
C31' C36' 1.400(13) .
C31' C37' 1.548(17) .
C32 C33 1.415(16) .
C32' C33' 1.447(16) .
C33 C34 1.384(17) .
C33' C34' 1.385(16) .
C34 C35 1.400(13) .
C34' C35' 1.400(17) .
C35 C36 1.395(17) .
C35' C36' 1.416(17) .
