#------------------------------------------------------------------------------
#$Date: 2017-02-04 15:51:02 +0200 (Sat, 04 Feb 2017) $
#$Revision: 191600 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/14/7041458.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_7041458
loop_
_publ_author_name
'Wang, Chunhong'
'Xiang, Li'
'Leng, Xuebing'
'Chen, Yaofeng'
_publ_section_title
;
 Rare-earth metal hydrides supported by silicon-bridged boratabenzene
 fluorenyl ligands: synthesis, structure and reactivity.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1218
_journal_page_last               1227
_journal_paper_doi               10.1039/c6dt04441g
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C60 H81 B2 La2 N2 Si2'
_chemical_formula_weight         1185.89
_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
_audit_update_record
;
2016-11-22 deposited with the CCDC.
2016-12-15 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 113.130(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.4581(18)
_cell_length_b                   20.025(2)
_cell_length_c                   18.863(3)
_cell_measurement_reflns_used    8434
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      30.59
_cell_measurement_theta_min      2.34
_cell_volume                     5717.0(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0597
_diffrn_reflns_av_sigmaI/netI    0.0601
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            28183
_diffrn_reflns_theta_full        30.62
_diffrn_reflns_theta_max         30.62
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    1.554
_exptl_absorpt_correction_T_max  0.8601
_exptl_absorpt_correction_T_min  0.7463
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2428
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.154
_refine_diff_density_min         -1.450
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         8796
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0512P)²+0.3010P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0902
_refine_ls_wR_factor_ref         0.1009
_reflns_number_gt                6648
_reflns_number_total             8796
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt04441g2.cif
_cod_data_source_block           5-La
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7041456--7041465.cif.
;
_cod_original_cell_volume        5716.8(12)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7041458
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
La1 La 0.877129(10) 0.096827(8) 0.192398(9) 0.01940(6) Uani 1 1 d .
H1M H 1.0000 0.145(3) 0.2500 0.031(13) Uiso 1 2 d S
Si1 Si 0.96488(5) 0.18318(5) 0.40853(5) 0.02358(17) Uani 1 1 d .
N1 N 0.68684(19) 0.01457(17) 0.00458(19) 0.0391(7) Uani 1 1 d .
B1 B 0.7662(2) 0.0529(2) 0.0268(2) 0.0271(7) Uani 1 1 d .
C1 C 0.86575(19) 0.16055(16) 0.32042(16) 0.0228(6) Uani 1 1 d .
C2 C 0.8086(2) 0.10319(16) 0.31212(17) 0.0238(6) Uani 1 1 d .
C3 C 0.8169(2) 0.04612(18) 0.35922(17) 0.0282(7) Uani 1 1 d .
H3 H 0.8666 0.0415 0.4066 0.034 Uiso 1 1 calc R
C4 C 0.7531(2) -0.0022(2) 0.3362(2) 0.0383(8) Uani 1 1 d .
H4 H 0.7583 -0.0396 0.3686 0.046 Uiso 1 1 calc R
C5 C 0.6793(3) 0.0024(2) 0.2649(2) 0.0463(10) Uani 1 1 d .
H5 H 0.6374 -0.0329 0.2491 0.056 Uiso 1 1 calc R
C6 C 0.6679(2) 0.0570(2) 0.2187(2) 0.0385(9) Uani 1 1 d .
H6 H 0.6177 0.0603 0.1715 0.046 Uiso 1 1 calc R
C7 C 0.7314(2) 0.10849(18) 0.24167(18) 0.0280(7) Uani 1 1 d .
C8 C 0.7355(2) 0.17190(18) 0.20800(17) 0.0286(7) Uani 1 1 d .
C9 C 0.6735(2) 0.2049(2) 0.14273(18) 0.0357(8) Uani 1 1 d .
H9 H 0.6183 0.1849 0.1128 0.043 Uiso 1 1 calc R
C10 C 0.6955(3) 0.2674(2) 0.1236(2) 0.0424(10) Uani 1 1 d .
H10 H 0.6537 0.2915 0.0817 0.051 Uiso 1 1 calc R
C11 C 0.7787(3) 0.2951(2) 0.1655(2) 0.0409(9) Uani 1 1 d .
H11 H 0.7938 0.3364 0.1489 0.049 Uiso 1 1 calc R
C12 C 0.8393(2) 0.26464(18) 0.22989(19) 0.0329(7) Uani 1 1 d .
H12 H 0.8952 0.2848 0.2572 0.039 Uiso 1 1 calc R
C13 C 0.8178(2) 0.20267(17) 0.25554(17) 0.0263(6) Uani 1 1 d .
C14 C 0.9947(2) 0.27327(18) 0.4078(2) 0.0389(8) Uani 1 1 d .
H14A H 1.0186 0.2805 0.3684 0.058 Uiso 1 1 calc R
H14B H 1.0393 0.2856 0.4585 0.058 Uiso 1 1 calc R
H14C H 0.9419 0.3009 0.3963 0.058 Uiso 1 1 calc R
C15 C 0.9357(2) 0.1712(2) 0.49411(18) 0.0377(8) Uani 1 1 d .
H15A H 0.8797 0.1938 0.4851 0.057 Uiso 1 1 calc R
H15B H 0.9824 0.1901 0.5399 0.057 Uiso 1 1 calc R
H15C H 0.9298 0.1234 0.5021 0.057 Uiso 1 1 calc R
C16 C 0.76933(19) 0.12866(17) 0.03331(17) 0.0254(6) Uani 1 1 d .
H16 H 0.7161 0.1525 0.0234 0.030 Uiso 1 1 calc R
C17 C 0.84841(19) 0.16409(16) 0.05351(16) 0.0243(6) Uani 1 1 d .
H17 H 0.8461 0.2115 0.0536 0.029 Uiso 1 1 calc R
C18 C 0.93254(19) 0.13258(16) 0.07411(16) 0.0218(6) Uani 1 1 d .
C19 C 0.93312(19) 0.06194(16) 0.06998(16) 0.0222(6) Uani 1 1 d .
H19 H 0.9881 0.0404 0.0804 0.027 Uiso 1 1 calc R
C20 C 0.8586(2) 0.02224(17) 0.05175(17) 0.0259(6) Uani 1 1 d .
H20 H 0.8650 -0.0249 0.0548 0.031 Uiso 1 1 calc R
C21 C 0.5999(2) 0.0456(2) -0.0219(3) 0.0474(10) Uani 1 1 d .
H21A H 0.6057 0.0906 0.0013 0.057 Uiso 1 1 calc R
H21B H 0.5615 0.0187 -0.0035 0.057 Uiso 1 1 calc R
C22 C 0.5559(3) 0.0518(3) -0.1088(3) 0.0620(13) Uani 1 1 d .
H22A H 0.5905 0.0820 -0.1269 0.093 Uiso 1 1 calc R
H22B H 0.4961 0.0697 -0.1233 0.093 Uiso 1 1 calc R
H22C H 0.5527 0.0077 -0.1322 0.093 Uiso 1 1 calc R
C23 C 0.6853(3) -0.0581(2) -0.0041(3) 0.0552(11) Uani 1 1 d U
H23A H 0.7445 -0.0732 0.0005 0.066 Uiso 1 1 calc R
H23B H 0.6427 -0.0697 -0.0566 0.066 Uiso 1 1 calc R
C24 C 0.6613(6) -0.0945(3) 0.0521(5) 0.105(2) Uani 1 1 d U
H24A H 0.7056 -0.0862 0.1041 0.158 Uiso 1 1 calc R
H24B H 0.6588 -0.1425 0.0410 0.158 Uiso 1 1 calc R
H24C H 0.6033 -0.0793 0.0489 0.158 Uiso 1 1 calc R
C25 C 1.0000 -0.0001(2) 0.2500 0.0297(9) Uani 1 2 d S
C26 C 0.9276(3) -0.0368(3) 0.2548(3) 0.0682(16) Uani 1 1 d .
C27 C 0.9277(4) -0.0962(2) 0.2957(4) 0.086(2) Uani 1 1 d D
H27A H 0.9203 -0.0877 0.3445 0.103 Uiso 1 1 calc R
H27B H 0.9805 -0.1243 0.3052 0.103 Uiso 1 1 calc R
C28 C 0.8381(6) -0.1260(5) 0.2276(6) 0.070(3) Uani 0.50 1 d PD
H28A H 0.7881 -0.0965 0.2207 0.104 Uiso 0.50 1 calc PR
H28B H 0.8258 -0.1707 0.2422 0.104 Uiso 0.50 1 calc PR
H28C H 0.8469 -0.1288 0.1792 0.104 Uiso 0.50 1 calc PR
C29 C 0.4532(3) 0.2072(6) 0.2272(3) 0.144(4) Uani 1 1 d D
H29A H 0.4299 0.1726 0.2517 0.173 Uiso 1 1 calc R
H29B H 0.4327 0.2503 0.2399 0.173 Uiso 1 1 calc R
C30 C 0.4045(5) 0.1994(7) 0.1504(4) 0.201(7) Uani 1 1 d D
H30A H 0.4049 0.1511 0.1398 0.241 Uiso 1 1 calc R
H30B H 0.4382 0.2214 0.1236 0.241 Uiso 1 1 calc R
C31 C 0.3152(5) 0.2208(4) 0.1117(4) 0.117(3) Uani 1 1 d D
H31A H 0.2759 0.1894 0.1225 0.176 Uiso 1 1 calc R
H31B H 0.3001 0.2224 0.0561 0.176 Uiso 1 1 calc R
H31C H 0.3082 0.2654 0.1301 0.176 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'
B B 0.0013 0.0007 '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'
La La -0.2871 2.4523 '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
C25 La1 C13 134.91(7) . .
C25 La1 C1 105.85(7) . .
C13 La1 C1 29.85(9) . .
C25 La1 C18 94.42(6) . .
C13 La1 C18 114.97(9) . .
C1 La1 C18 136.02(9) . .
C25 La1 C17 122.89(6) . .
C13 La1 C17 94.29(9) . .
C1 La1 C17 122.71(9) . .
C18 La1 C17 29.42(8) . .
C25 La1 C8 147.14(7) . .
C13 La1 C8 29.28(9) . .
C1 La1 C8 49.03(9) . .
C18 La1 C8 118.35(9) . .
C17 La1 C8 89.92(9) . .
C25 La1 C19 74.01(6) . .
C13 La1 C19 143.18(9) . .
C1 La1 C19 161.74(9) . .
C18 La1 C19 28.74(9) . .
C17 La1 C19 50.32(9) . .
C8 La1 C19 137.07(8) . .
C25 La1 C16 129.19(7) . .
C13 La1 C16 95.77(9) . .
C1 La1 C16 124.89(9) . .
C18 La1 C16 51.65(8) . .
C17 La1 C16 28.29(8) . .
C8 La1 C16 78.47(8) . .
C19 La1 C16 58.83(8) . .
C25 La1 C2 100.20(6) . .
C13 La1 C2 47.52(9) . .
C1 La1 C2 29.50(9) . .
C18 La1 C2 162.48(9) . .
C17 La1 C2 136.88(9) . .
C8 La1 C2 47.13(9) . .
C19 La1 C2 168.04(9) . .
C16 La1 C2 122.06(8) . .
C25 La1 C7 120.72(8) . .
C13 La1 C7 47.93(10) . .
C1 La1 C7 48.99(9) . .
C18 La1 C7 143.07(9) . .
C17 La1 C7 113.68(9) . .
C8 La1 C7 28.67(10) . .
C19 La1 C7 147.03(9) . .
C16 La1 C7 93.85(8) . .
C2 La1 C7 28.70(9) . .
C25 La1 C26 29.28(10) . .
C13 La1 C26 128.20(13) . .
C1 La1 C26 100.10(13) . .
C18 La1 C26 115.12(12) . .
C17 La1 C26 137.15(14) . .
C8 La1 C26 123.49(11) . .
C19 La1 C26 88.33(13) . .
C16 La1 C26 125.68(14) . .
C2 La1 C26 82.07(12) . .
C7 La1 C26 94.88(11) . .
C25 La1 C20 78.17(7) . .
C13 La1 C20 146.92(9) . .
C1 La1 C20 170.43(8) . .
C18 La1 C20 50.79(9) . .
C17 La1 C20 59.06(9) . .
C8 La1 C20 123.56(9) . .
C19 La1 C20 27.42(8) . .
C16 La1 C20 51.34(9) . .
C2 La1 C20 142.01(9) . .
C7 La1 C20 121.45(9) . .
C26 La1 C20 79.08(14) . .
C25 La1 H1M 73.2(13) . .
C13 La1 H1M 81.7(10) . .
C1 La1 H1M 73.9(5) . .
C18 La1 H1M 75.4(2) . .
C17 La1 H1M 92.0(7) . .
C8 La1 H1M 110.8(10) . .
C19 La1 H1M 88.9(4) . .
C16 La1 H1M 120.2(7) . .
C2 La1 H1M 99.53(18) . .
C7 La1 H1M 122.8(6) . .
C26 La1 H1M 98.7(12) . .
C20 La1 H1M 115.7(5) . .
C1 Si1 C14 111.54(16) . .
C1 Si1 C15 107.79(14) . .
C14 Si1 C15 106.66(18) . .
C1 Si1 C18 115.68(13) . 2_755
C14 Si1 C18 107.45(15) . 2_755
C15 Si1 C18 107.28(15) . 2_755
B1 N1 C21 122.3(3) . .
B1 N1 C23 122.7(3) . .
C21 N1 C23 114.5(3) . .
N1 B1 C16 123.9(3) . .
N1 B1 C20 124.0(3) . .
C16 B1 C20 112.1(3) . .
N1 B1 La1 124.3(2) . .
C16 B1 La1 69.12(16) . .
C20 B1 La1 71.34(16) . .
C13 C1 C2 104.8(3) . .
C13 C1 Si1 127.5(2) . .
C2 C1 Si1 126.1(2) . .
C13 C1 La1 74.58(16) . .
C2 C1 La1 78.86(17) . .
Si1 C1 La1 123.08(13) . .
C3 C2 C7 118.1(3) . .
C3 C2 C1 132.0(3) . .
C7 C2 C1 109.9(3) . .
C3 C2 La1 118.8(2) . .
C7 C2 La1 75.86(16) . .
C1 C2 La1 71.64(15) . .
C4 C3 C2 119.8(3) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C3 C4 C5 121.4(3) . .
C3 C4 H4 119.3 . .
C5 C4 H4 119.3 . .
C6 C5 C4 120.7(3) . .
C6 C5 H5 119.7 . .
C4 C5 H5 119.7 . .
C5 C6 C7 119.3(3) . .
C5 C6 H6 120.3 . .
C7 C6 H6 120.3 . .
C6 C7 C8 132.0(3) . .
C6 C7 C2 120.7(3) . .
C8 C7 C2 107.3(3) . .
C6 C7 La1 116.7(2) . .
C8 C7 La1 74.99(16) . .
C2 C7 La1 75.44(16) . .
C9 C8 C7 131.0(3) . .
C9 C8 C13 121.5(3) . .
C7 C8 C13 107.5(3) . .
C9 C8 La1 119.3(2) . .
C7 C8 La1 76.34(18) . .
C13 C8 La1 71.68(16) . .
C10 C9 C8 118.4(3) . .
C10 C9 H9 120.8 . .
C8 C9 H9 120.8 . .
C9 C10 C11 120.5(3) . .
C9 C10 H10 119.8 . .
C11 C10 H10 119.8 . .
C12 C11 C10 122.1(4) . .
C12 C11 H11 118.9 . .
C10 C11 H11 118.9 . .
C11 C12 C13 119.7(4) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
C12 C13 C8 117.4(3) . .
C12 C13 C1 132.2(3) . .
C8 C13 C1 110.3(3) . .
C12 C13 La1 109.96(19) . .
C8 C13 La1 79.05(18) . .
C1 C13 La1 75.57(17) . .
Si1 C14 H14A 109.5 . .
Si1 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
Si1 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
Si1 C15 H15A 109.5 . .
Si1 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
Si1 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 B1 121.8(3) . .
C17 C16 La1 72.73(17) . .
B1 C16 La1 81.45(17) . .
C17 C16 H16 119.1 . .
B1 C16 H16 119.1 . .
La1 C16 H16 117.3 . .
C16 C17 C18 123.3(3) . .
C16 C17 La1 78.98(17) . .
C18 C17 La1 75.25(16) . .
C16 C17 H17 118.4 . .
C18 C17 H17 118.4 . .
La1 C17 H17 118.0 . .
C19 C18 C17 116.9(3) . .
C19 C18 Si1 121.4(2) . 2_755
C17 C18 Si1 121.1(2) . 2_755
C19 C18 La1 78.52(15) . .
C17 C18 La1 75.33(16) . .
Si1 C18 La1 123.11(13) 2_755 .
C20 C19 C18 124.2(3) . .
C20 C19 La1 78.94(16) . .
C18 C19 La1 72.74(15) . .
C20 C19 H19 117.9 . .
C18 C19 H19 117.9 . .
La1 C19 H19 121.4 . .
C19 C20 B1 121.4(3) . .
C19 C20 La1 73.64(16) . .
B1 C20 La1 79.22(17) . .
C19 C20 H20 119.3 . .
B1 C20 H20 119.3 . .
La1 C20 H20 118.6 . .
N1 C21 C22 113.1(3) . .
N1 C21 H21A 109.0 . .
C22 C21 H21A 108.9 . .
N1 C21 H21B 109.0 . .
C22 C21 H21B 109.0 . .
H21A C21 H21B 107.8 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N1 C23 C24 114.3(4) . .
N1 C23 H23A 108.7 . .
C24 C23 H23A 108.7 . .
N1 C23 H23B 108.7 . .
C24 C23 H23B 108.7 . .
H23A C23 H23B 107.6 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C26 118.2(5) . 2_755
C26 C25 La1 148.5(3) . 2_755
C26 C25 La1 83.4(2) 2_755 2_755
C26 C25 La1 83.4(2) . .
C26 C25 La1 148.5(3) 2_755 .
La1 C25 La1 88.27(14) 2_755 .
C27 C26 C25 130.0(4) . .
C27 C26 La1 158.6(4) . .
C25 C26 La1 67.3(2) . .
C26 C27 C28 94.1(6) . .
C26 C27 H27A 112.9 . .
C28 C27 H27A 112.9 . .
C26 C27 H27B 112.9 . .
C28 C27 H27B 112.9 . .
H27A C27 H27B 110.3 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 C29 132.9(8) . 2_655
C30 C29 H29A 104.0 . .
C29 C29 H29A 104.0 2_655 .
C30 C29 H29B 104.0 . .
C29 C29 H29B 104.0 2_655 .
H29A C29 H29B 105.5 . .
C29 C30 C31 124.6(9) . .
C29 C30 H30A 106.2 . .
C31 C30 H30A 106.2 . .
C29 C30 H30B 106.2 . .
C31 C30 H30B 106.2 . .
H30A C30 H30B 106.4 . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 C25 2.703(3) .
La1 C13 2.789(3) .
La1 C1 2.802(3) .
La1 C18 2.815(3) .
La1 C17 2.816(3) .
La1 C8 2.885(3) .
La1 C19 2.888(3) .
La1 C16 2.894(3) .
La1 C2 2.897(3) .
La1 C7 2.902(3) .
La1 C26 2.910(5) .
La1 C20 2.954(3) .
La1 H1M 2.12(2) .
Si1 C1 1.871(3) .
Si1 C14 1.871(4) .
Si1 C15 1.871(3) .
Si1 C18 1.884(3) 2_755
N1 B1 1.428(4) .
N1 C21 1.457(5) .
N1 C23 1.464(5) .
B1 C16 1.522(5) .
B1 C20 1.533(5) .
C1 C13 1.440(4) .
C1 C2 1.454(4) .
C2 C3 1.421(4) .
C2 C7 1.437(4) .
C3 C4 1.366(5) .
C3 H3 0.9500 .
C4 C5 1.417(5) .
C4 H4 0.9500 .
C5 C6 1.364(6) .
C5 H5 0.9500 .
C6 C7 1.409(5) .
C6 H6 0.9500 .
C7 C8 1.433(5) .
C8 C9 1.417(5) .
C8 C13 1.437(4) .
C9 C10 1.389(6) .
C9 H9 0.9500 .
C10 C11 1.399(6) .
C10 H10 0.9500 .
C11 C12 1.375(5) .
C11 H11 0.9500 .
C12 C13 1.426(5) .
C12 H12 0.9500 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.397(4) .
C16 H16 0.9500 .
C17 C18 1.430(4) .
C17 H17 0.9500 .
C18 C19 1.417(4) .
C18 Si1 1.884(3) 2_755
C19 C20 1.386(4) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.514(6) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.464(8) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.433(5) .
C25 C26 1.433(5) 2_755
C25 La1 2.703(3) 2_755
C26 C27 1.417(6) .
C27 C28 1.642(8) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C30 1.362(7) .
C29 C29 1.438(8) 2_655
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.425(8) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
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
C21 N1 B1 C16 6.6(5) . .
C23 N1 B1 C16 177.5(3) . .
C21 N1 B1 C20 -177.4(3) . .
C23 N1 B1 C20 -6.4(5) . .
C21 N1 B1 La1 93.1(4) . .
C23 N1 B1 La1 -96.0(4) . .
C25 La1 B1 N1 93.0(3) . .
C13 La1 B1 N1 -76.1(3) . .
C1 La1 B1 N1 -51.3(4) . .
C18 La1 B1 N1 179.8(3) . .
C17 La1 B1 N1 -146.4(3) . .
C8 La1 B1 N1 -59.9(3) . .
C19 La1 B1 N1 147.1(3) . .
C16 La1 B1 N1 -117.5(4) . .
C2 La1 B1 N1 -20.1(3) . .
C7 La1 B1 N1 -31.2(3) . .
C26 La1 B1 N1 64.5(3) . .
C20 La1 B1 N1 118.9(4) . .
C25 La1 B1 C16 -149.49(16) . .
C13 La1 B1 C16 41.4(2) . .
C1 La1 B1 C16 66.2(2) . .
C18 La1 B1 C16 -62.70(17) . .
C17 La1 B1 C16 -28.96(15) . .
C8 La1 B1 C16 57.62(18) . .
C19 La1 B1 C16 -95.39(19) . .
C2 La1 B1 C16 97.38(18) . .
C7 La1 B1 C16 86.32(17) . .
C26 La1 B1 C16 -178.02(18) . .
C20 La1 B1 C16 -123.6(3) . .
C25 La1 B1 C20 -25.87(19) . .
C13 La1 B1 C20 165.03(17) . .
C1 La1 B1 C20 -170.15(16) . .
C18 La1 B1 C20 60.93(18) . .
C17 La1 B1 C20 94.7(2) . .
C8 La1 B1 C20 -178.76(19) . .
C19 La1 B1 C20 28.23(17) . .
C16 La1 B1 C20 123.6(3) . .
C2 La1 B1 C20 -139.00(17) . .
C7 La1 B1 C20 -150.06(18) . .
C26 La1 B1 C20 -54.4(2) . .
C14 Si1 C1 C13 3.6(3) . .
C15 Si1 C1 C13 120.3(3) . .
C18 Si1 C1 C13 -119.6(3) 2_755 .
C14 Si1 C1 C2 -159.8(3) . .
C15 Si1 C1 C2 -43.0(3) . .
C18 Si1 C1 C2 77.0(3) 2_755 .
C14 Si1 C1 La1 99.32(19) . .
C15 Si1 C1 La1 -143.92(18) . .
C18 Si1 C1 La1 -23.9(2) 2_755 .
C25 La1 C1 C13 168.41(17) . .
C18 La1 C1 C13 54.2(2) . .
C17 La1 C1 C13 19.8(2) . .
C8 La1 C1 C13 -36.11(17) . .
C19 La1 C1 C13 81.5(3) . .
C16 La1 C1 C13 -14.3(2) . .
C2 La1 C1 C13 -108.9(2) . .
C7 La1 C1 C13 -74.41(19) . .
C26 La1 C1 C13 -162.10(19) . .
C20 La1 C1 C13 -77.9(6) . .
C25 La1 C1 C2 -82.65(18) . .
C13 La1 C1 C2 108.9(2) . .
C18 La1 C1 C2 163.17(16) . .
C17 La1 C1 C2 128.79(17) . .
C8 La1 C1 C2 72.83(18) . .
C19 La1 C1 C2 -169.6(2) . .
C16 La1 C1 C2 94.68(19) . .
C7 La1 C1 C2 34.53(17) . .
C26 La1 C1 C2 -53.16(19) . .
C20 La1 C1 C2 31.1(6) . .
C25 La1 C1 Si1 43.36(18) . .
C13 La1 C1 Si1 -125.0(3) . .
C18 La1 C1 Si1 -70.8(2) . .
C17 La1 C1 Si1 -105.20(17) . .
C8 La1 C1 Si1 -161.2(2) . .
C19 La1 C1 Si1 -43.6(4) . .
C16 La1 C1 Si1 -139.31(15) . .
C2 La1 C1 Si1 126.0(3) . .
C7 La1 C1 Si1 160.5(2) . .
C26 La1 C1 Si1 72.86(19) . .
C20 La1 C1 Si1 157.1(4) . .
C13 C1 C2 C3 -176.9(3) . .
Si1 C1 C2 C3 -10.5(5) . .
La1 C1 C2 C3 112.5(3) . .
C13 C1 C2 C7 3.8(3) . .
Si1 C1 C2 C7 170.2(2) . .
La1 C1 C2 C7 -66.8(2) . .
C13 C1 C2 La1 70.59(18) . .
Si1 C1 C2 La1 -123.0(2) . .
C25 La1 C2 C3 -24.3(2) . .
C13 La1 C2 C3 -168.1(3) . .
C1 La1 C2 C3 -128.5(3) . .
C18 La1 C2 C3 -170.4(2) . .
C17 La1 C2 C3 157.9(2) . .
C8 La1 C2 C3 151.7(3) . .
C19 La1 C2 C3 35.7(5) . .
C16 La1 C2 C3 126.2(2) . .
C7 La1 C2 C3 114.5(3) . .
C26 La1 C2 C3 -1.2(2) . .
C20 La1 C2 C3 59.5(3) . .
C25 La1 C2 C7 -138.8(2) . .
C13 La1 C2 C7 77.3(2) . .
C1 La1 C2 C7 117.0(3) . .
C18 La1 C2 C7 75.1(3) . .
C17 La1 C2 C7 43.4(2) . .
C8 La1 C2 C7 37.13(19) . .
C19 La1 C2 C7 -78.9(4) . .
C16 La1 C2 C7 11.7(2) . .
C26 La1 C2 C7 -115.7(2) . .
C20 La1 C2 C7 -55.0(3) . .
C25 La1 C2 C1 104.21(18) . .
C13 La1 C2 C1 -39.67(17) . .
C18 La1 C2 C1 -41.9(4) . .
C17 La1 C2 C1 -73.6(2) . .
C8 La1 C2 C1 -79.9(2) . .
C19 La1 C2 C1 164.1(3) . .
C16 La1 C2 C1 -105.29(18) . .
C7 La1 C2 C1 -117.0(3) . .
C26 La1 C2 C1 127.3(2) . .
C20 La1 C2 C1 -171.98(16) . .
C7 C2 C3 C4 1.1(5) . .
C1 C2 C3 C4 -178.2(3) . .
La1 C2 C3 C4 -87.5(3) . .
C2 C3 C4 C5 1.7(5) . .
C3 C4 C5 C6 -3.1(6) . .
C4 C5 C6 C7 1.4(6) . .
C5 C6 C7 C8 -176.7(4) . .
C5 C6 C7 C2 1.4(5) . .
C5 C6 C7 La1 89.7(4) . .
C3 C2 C7 C6 -2.7(4) . .
C1 C2 C7 C6 176.7(3) . .
La1 C2 C7 C6 112.6(3) . .
C3 C2 C7 C8 175.8(3) . .
C1 C2 C7 C8 -4.7(3) . .
La1 C2 C7 C8 -68.8(2) . .
C3 C2 C7 La1 -115.3(3) . .
C1 C2 C7 La1 64.1(2) . .
C25 La1 C7 C6 -68.4(3) . .
C13 La1 C7 C6 166.9(3) . .
C1 La1 C7 C6 -152.9(3) . .
C18 La1 C7 C6 91.6(3) . .
C17 La1 C7 C6 93.5(3) . .
C8 La1 C7 C6 129.9(3) . .
C19 La1 C7 C6 40.7(3) . .
C16 La1 C7 C6 72.6(3) . .
C2 La1 C7 C6 -117.3(3) . .
C26 La1 C7 C6 -53.7(3) . .
C20 La1 C7 C6 26.4(3) . .
C25 La1 C7 C8 161.75(17) . .
C13 La1 C7 C8 37.01(17) . .
C1 La1 C7 C8 77.2(2) . .
C18 La1 C7 C8 -38.2(3) . .
C17 La1 C7 C8 -36.4(2) . .
C19 La1 C7 C8 -89.1(2) . .
C16 La1 C7 C8 -57.28(19) . .
C2 La1 C7 C8 112.8(3) . .
C26 La1 C7 C8 176.4(2) . .
C20 La1 C7 C8 -103.44(19) . .
C25 La1 C7 C2 49.0(2) . .
C13 La1 C7 C2 -75.8(2) . .
C1 La1 C7 C2 -35.55(18) . .
C18 La1 C7 C2 -151.03(18) . .
C17 La1 C7 C2 -149.16(18) . .
C8 La1 C7 C2 -112.8(3) . .
C19 La1 C7 C2 158.07(18) . .
C16 La1 C7 C2 -170.1(2) . .
C26 La1 C7 C2 63.6(2) . .
C20 La1 C7 C2 143.78(18) . .
C6 C7 C8 C9 4.6(6) . .
C2 C7 C8 C9 -173.7(3) . .
La1 C7 C8 C9 117.1(3) . .
C6 C7 C8 C13 -178.0(3) . .
C2 C7 C8 C13 3.7(3) . .
La1 C7 C8 C13 -65.4(2) . .
C6 C7 C8 La1 -112.6(4) . .
C2 C7 C8 La1 69.1(2) . .
C25 La1 C8 C9 -159.4(3) . .
C13 La1 C8 C9 116.4(4) . .
C1 La1 C8 C9 153.3(3) . .
C18 La1 C8 C9 25.4(3) . .
C17 La1 C8 C9 17.5(3) . .
C19 La1 C8 C9 -2.7(4) . .
C16 La1 C8 C9 -8.6(3) . .
C2 La1 C8 C9 -166.8(3) . .
C7 La1 C8 C9 -129.6(4) . .
C26 La1 C8 C9 -133.9(3) . .
C20 La1 C8 C9 -34.4(3) . .
C25 La1 C8 C7 -29.7(3) . .
C13 La1 C8 C7 -114.0(3) . .
C1 La1 C8 C7 -77.10(19) . .
C18 La1 C8 C7 155.00(17) . .
C17 La1 C8 C7 147.10(18) . .
C19 La1 C8 C7 126.97(18) . .
C16 La1 C8 C7 121.05(19) . .
C2 La1 C8 C7 -37.16(17) . .
C26 La1 C8 C7 -4.3(2) . .
C20 La1 C8 C7 95.26(19) . .
C25 La1 C8 C13 84.2(3) . .
C1 La1 C8 C13 36.86(17) . .
C18 La1 C8 C13 -91.05(18) . .
C17 La1 C8 C13 -98.94(18) . .
C19 La1 C8 C13 -119.08(18) . .
C16 La1 C8 C13 -125.00(19) . .
C2 La1 C8 C13 76.79(19) . .
C7 La1 C8 C13 114.0(3) . .
C26 La1 C8 C13 109.6(2) . .
C20 La1 C8 C13 -150.78(17) . .
C7 C8 C9 C10 179.5(3) . .
C13 C8 C9 C10 2.4(5) . .
La1 C8 C9 C10 -83.1(4) . .
C8 C9 C10 C11 3.3(5) . .
C9 C10 C11 C12 -4.7(6) . .
C10 C11 C12 C13 0.1(5) . .
C11 C12 C13 C8 5.4(5) . .
C11 C12 C13 C1 -178.5(3) . .
C11 C12 C13 La1 93.2(3) . .
C9 C8 C13 C12 -6.7(4) . .
C7 C8 C13 C12 175.5(3) . .
La1 C8 C13 C12 106.9(3) . .
C9 C8 C13 C1 176.3(3) . .
C7 C8 C13 C1 -1.4(3) . .
La1 C8 C13 C1 -70.0(2) . .
C9 C8 C13 La1 -113.7(3) . .
C7 C8 C13 La1 68.6(2) . .
C2 C1 C13 C12 -177.8(3) . .
Si1 C1 C13 C12 16.1(5) . .
La1 C1 C13 C12 -104.0(3) . .
C2 C1 C13 C8 -1.4(3) . .
Si1 C1 C13 C8 -167.6(2) . .
La1 C1 C13 C8 72.3(2) . .
C2 C1 C13 La1 -73.73(19) . .
Si1 C1 C13 La1 120.1(2) . .
C25 La1 C13 C12 114.3(2) . .
C1 La1 C13 C12 130.1(3) . .
C18 La1 C13 C12 -11.4(3) . .
C17 La1 C13 C12 -33.2(2) . .
C8 La1 C13 C12 -115.4(3) . .
C19 La1 C13 C12 -18.7(3) . .
C16 La1 C13 C12 -61.6(2) . .
C2 La1 C13 C12 169.3(3) . .
C7 La1 C13 C12 -151.6(3) . .
C26 La1 C13 C12 152.8(2) . .
C20 La1 C13 C12 -67.2(3) . .
C25 La1 C13 C8 -130.34(18) . .
C1 La1 C13 C8 -114.5(3) . .
C18 La1 C13 C8 103.93(18) . .
C17 La1 C13 C8 82.15(18) . .
C19 La1 C13 C8 96.6(2) . .
C16 La1 C13 C8 53.78(18) . .
C2 La1 C13 C8 -75.34(19) . .
C7 La1 C13 C8 -36.21(17) . .
C26 La1 C13 C8 -91.9(2) . .
C20 La1 C13 C8 48.2(3) . .
C25 La1 C13 C1 -15.8(2) . .
C18 La1 C13 C1 -141.58(17) . .
C17 La1 C13 C1 -163.36(17) . .
C8 La1 C13 C1 114.5(3) . .
C19 La1 C13 C1 -148.86(17) . .
C16 La1 C13 C1 168.28(17) . .
C2 La1 C13 C1 39.16(16) . .
C7 La1 C13 C1 78.29(19) . .
C26 La1 C13 C1 22.6(2) . .
C20 La1 C13 C1 162.67(17) . .
N1 B1 C16 C17 -178.4(3) . .
C20 B1 C16 C17 5.1(4) . .
La1 B1 C16 C17 63.5(2) . .
N1 B1 C16 La1 118.1(3) . .
C20 B1 C16 La1 -58.4(2) . .
C25 La1 C16 C17 -87.9(2) . .
C13 La1 C16 C17 88.34(19) . .
C1 La1 C16 C17 95.42(19) . .
C18 La1 C16 C17 -29.12(17) . .
C8 La1 C16 C17 112.08(19) . .
C19 La1 C16 C17 -63.21(18) . .
C2 La1 C16 C17 130.81(18) . .
C7 La1 C16 C17 136.41(19) . .
C26 La1 C16 C17 -124.8(2) . .
C20 La1 C16 C17 -95.6(2) . .
C25 La1 C16 B1 39.3(2) . .
C13 La1 C16 B1 -144.47(17) . .
C1 La1 C16 B1 -137.39(17) . .
C18 La1 C16 B1 98.08(19) . .
C17 La1 C16 B1 127.2(3) . .
C8 La1 C16 B1 -120.73(18) . .
C19 La1 C16 B1 63.98(17) . .
C2 La1 C16 B1 -102.00(18) . .
C7 La1 C16 B1 -96.40(18) . .
C26 La1 C16 B1 2.4(2) . .
C20 La1 C16 B1 31.61(16) . .
B1 C16 C17 C18 -3.9(4) . .
La1 C16 C17 C18 64.0(3) . .
B1 C16 C17 La1 -67.9(3) . .
C25 La1 C17 C16 112.73(19) . .
C13 La1 C17 C16 -94.20(19) . .
C1 La1 C17 C16 -103.95(19) . .
C18 La1 C17 C16 129.0(3) . .
C8 La1 C17 C16 -65.22(19) . .
C19 La1 C17 C16 97.0(2) . .
C2 La1 C17 C16 -69.8(2) . .
C7 La1 C17 C16 -48.7(2) . .
C26 La1 C17 C16 78.9(2) . .
C20 La1 C17 C16 64.97(18) . .
C25 La1 C17 C18 -16.3(2) . .
C13 La1 C17 C18 136.78(18) . .
C1 La1 C17 C18 127.02(17) . .
C8 La1 C17 C18 165.75(18) . .
C19 La1 C17 C18 -31.98(16) . .
C16 La1 C17 C18 -129.0(3) . .
C2 La1 C17 C18 161.18(16) . .
C7 La1 C17 C18 -177.71(17) . .
C26 La1 C17 C18 -50.2(2) . .
C20 La1 C17 C18 -64.05(18) . .
C16 C17 C18 C19 2.9(4) . .
La1 C17 C18 C19 68.7(2) . .
C16 C17 C18 Si1 174.1(2) . 2_755
La1 C17 C18 Si1 -120.11(19) . 2_755
C16 C17 C18 La1 -65.8(3) . .
C25 La1 C18 C19 44.31(17) . .
C13 La1 C18 C19 -170.90(16) . .
C1 La1 C18 C19 162.64(15) . .
C17 La1 C18 C19 -122.0(3) . .
C8 La1 C18 C19 -138.27(17) . .
C16 La1 C18 C19 -94.02(19) . .
C2 La1 C18 C19 -169.1(2) . .
C7 La1 C18 C19 -118.54(19) . .
C26 La1 C18 C19 22.7(2) . .
C20 La1 C18 C19 -26.52(16) . .
C25 La1 C18 C17 166.34(18) . .
C13 La1 C18 C17 -48.9(2) . .
C1 La1 C18 C17 -75.3(2) . .
C8 La1 C18 C17 -16.2(2) . .
C19 La1 C18 C17 122.0(3) . .
C16 La1 C18 C17 28.00(17) . .
C2 La1 C18 C17 -47.1(4) . .
C7 La1 C18 C17 3.5(3) . .
C26 La1 C18 C17 144.8(2) . .
C20 La1 C18 C17 95.5(2) . .
C25 La1 C18 Si1 -75.88(17) . 2_755
C13 La1 C18 Si1 68.91(18) . 2_755
C1 La1 C18 Si1 42.5(2) . 2_755
C17 La1 C18 Si1 117.8(3) . 2_755
C8 La1 C18 Si1 101.55(17) . 2_755
C19 La1 C18 Si1 -120.2(3) . 2_755
C16 La1 C18 Si1 145.8(2) . 2_755
C2 La1 C18 Si1 70.7(3) . 2_755
C7 La1 C18 Si1 121.27(17) . 2_755
C26 La1 C18 Si1 -97.4(2) . 2_755
C20 La1 C18 Si1 -146.7(2) . 2_755
C17 C18 C19 C20 -3.9(4) . .
Si1 C18 C19 C20 -175.0(2) 2_755 .
La1 C18 C19 C20 63.0(3) . .
C17 C18 C19 La1 -66.9(2) . .
Si1 C18 C19 La1 121.95(19) 2_755 .
C25 La1 C19 C20 95.1(2) . .
C13 La1 C19 C20 -117.5(2) . .
C1 La1 C19 C20 -172.7(2) . .
C18 La1 C19 C20 -131.3(3) . .
C17 La1 C19 C20 -98.5(2) . .
C8 La1 C19 C20 -72.0(2) . .
C16 La1 C19 C20 -65.20(19) . .
C2 La1 C19 C20 32.7(5) . .
C7 La1 C19 C20 -27.2(3) . .
C26 La1 C19 C20 69.2(2) . .
C25 La1 C19 C18 -133.57(18) . .
C13 La1 C19 C18 13.8(2) . .
C1 La1 C19 C18 -41.4(3) . .
C17 La1 C19 C18 32.76(16) . .
C8 La1 C19 C18 59.3(2) . .
C16 La1 C19 C18 66.11(17) . .
C2 La1 C19 C18 164.1(3) . .
C7 La1 C19 C18 104.1(2) . .
C26 La1 C19 C18 -159.50(19) . .
C20 La1 C19 C18 131.3(3) . .
C18 C19 C20 B1 5.8(4) . .
La1 C19 C20 B1 65.9(3) . .
C18 C19 C20 La1 -60.1(2) . .
N1 B1 C20 C19 177.5(3) . .
C16 B1 C20 C19 -6.0(4) . .
La1 B1 C20 C19 -63.1(2) . .
N1 B1 C20 La1 -119.4(3) . .
C16 B1 C20 La1 57.1(2) . .
C25 La1 C20 C19 -78.02(19) . .
C13 La1 C20 C19 103.1(2) . .
C1 La1 C20 C19 166.1(5) . .
C18 La1 C20 C19 27.79(17) . .
C17 La1 C20 C19 62.54(19) . .
C8 La1 C20 C19 128.99(18) . .
C16 La1 C20 C19 95.9(2) . .
C2 La1 C20 C19 -169.51(17) . .
C7 La1 C20 C19 163.05(18) . .
C26 La1 C20 C19 -107.9(2) . .
C25 La1 C20 B1 154.5(2) . .
C13 La1 C20 B1 -24.4(3) . .
C1 La1 C20 B1 38.6(6) . .
C18 La1 C20 B1 -99.7(2) . .
C17 La1 C20 B1 -64.96(19) . .
C8 La1 C20 B1 1.5(2) . .
C19 La1 C20 B1 -127.5(3) . .
C16 La1 C20 B1 -31.60(18) . .
C2 La1 C20 B1 63.0(2) . .
C7 La1 C20 B1 35.5(2) . .
C26 La1 C20 B1 124.6(2) . .
B1 N1 C21 C22 94.2(4) . .
C23 N1 C21 C22 -77.4(5) . .
B1 N1 C23 C24 113.7(5) . .
C21 N1 C23 C24 -74.7(6) . .
C13 La1 C25 C26 90.4(3) . .
C1 La1 C25 C26 82.3(3) . .
C18 La1 C25 C26 -137.1(3) . .
C17 La1 C25 C26 -129.2(3) . .
C8 La1 C25 C26 47.0(3) . .
C19 La1 C25 C26 -116.7(3) . .
C16 La1 C25 C26 -94.9(3) . .
C2 La1 C25 C26 52.6(3) . .
C7 La1 C25 C26 31.0(3) . .
C20 La1 C25 C26 -88.7(3) . .
C13 La1 C25 C26 -133.5(5) . 2_755
C1 La1 C25 C26 -141.6(5) . 2_755
C18 La1 C25 C26 -1.0(5) . 2_755
C17 La1 C25 C26 6.9(5) . 2_755
C8 La1 C25 C26 -176.9(4) . 2_755
C19 La1 C25 C26 19.4(5) . 2_755
C16 La1 C25 C26 41.2(5) . 2_755
C2 La1 C25 C26 -171.3(5) . 2_755
C7 La1 C25 C26 167.1(5) . 2_755
C26 La1 C25 C26 136.1(6) . 2_755
C20 La1 C25 C26 47.4(5) . 2_755
C13 La1 C25 La1 -59.10(11) . 2_755
C1 La1 C25 La1 -67.22(7) . 2_755
C18 La1 C25 La1 73.33(6) . 2_755
C17 La1 C25 La1 81.28(9) . 2_755
C8 La1 C25 La1 -102.49(17) . 2_755
C19 La1 C25 La1 93.78(7) . 2_755
C16 La1 C25 La1 115.61(9) . 2_755
C2 La1 C25 La1 -96.97(7) . 2_755
C7 La1 C25 La1 -118.56(9) . 2_755
C26 La1 C25 La1 -149.5(3) . 2_755
C20 La1 C25 La1 121.73(6) . 2_755
C26 C25 C26 C27 39.3(6) 2_755 .
La1 C25 C26 C27 -89.3(8) 2_755 .
La1 C25 C26 C27 -165.0(7) . .
C26 C25 C26 La1 -155.70(16) 2_755 .
La1 C25 C26 La1 75.7(5) 2_755 .
C25 La1 C26 C27 147.2(15) . .
C13 La1 C26 C27 31.5(13) . .
C1 La1 C26 C27 42.7(13) . .
C18 La1 C26 C27 -164.3(13) . .
C17 La1 C26 C27 -139.7(12) . .
C8 La1 C26 C27 -4.4(14) . .
C19 La1 C26 C27 -153.6(13) . .
C16 La1 C26 C27 -104.8(13) . .
C2 La1 C26 C27 19.3(13) . .
C7 La1 C26 C27 -6.5(13) . .
C20 La1 C26 C27 -127.6(13) . .
C13 La1 C26 C25 -115.7(2) . .
C1 La1 C26 C25 -104.5(2) . .
C18 La1 C26 C25 48.5(3) . .
C17 La1 C26 C25 73.1(3) . .
C8 La1 C26 C25 -151.56(18) . .
C19 La1 C26 C25 59.2(2) . .
C16 La1 C26 C25 108.1(2) . .
C2 La1 C26 C25 -127.9(2) . .
C7 La1 C26 C25 -153.6(2) . .
C20 La1 C26 C25 85.2(2) . .
C25 C26 C27 C28 -142.4(7) . .
La1 C26 C27 C28 78.3(14) . .
C29 C29 C30 C31 -159.6(7) 2_655 .
