#------------------------------------------------------------------------------
#$Date: 2020-07-17 22:35:39 +0300 (Fri, 17 Jul 2020) $
#$Revision: 254368 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/86/1558609.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_1558609
loop_
_publ_author_name
'Dong, Xiang'
'Robinson, Jerome'
_publ_section_title
;
 The Role of Neutral Donor Ligands in the Isoselective Ring-Opening
 Polymerization of rac-β-Butyrolactone
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC03507F
_journal_year                    2020
_chemical_formula_moiety         'C49 H83 La N2 O4 Si2'
_chemical_formula_sum            'C49 H83 La N2 O4 Si2'
_chemical_formula_weight         959.26
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2020-01-26
_audit_creation_method
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_audit_update_record
;
2020-01-26 deposited with the CCDC.	2020-07-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.851(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.0458(16)
_cell_length_b                   16.5877(16)
_cell_length_c                   19.5942(17)
_cell_measurement_reflns_used    9263
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      2.45
_cell_volume                     5105.5(8)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      173.2
_diffrn_detector_area_resol_mean 7.9
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker D8-Quest, Photon 100 CMOS Detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1329
_diffrn_reflns_av_unetI/netI     0.0585
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            192582
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.936
_diffrn_reflns_theta_min         1.785
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.925
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6501
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0982 before and 0.0836 after correction.
The Ratio of minimum to maximum transmission is 0.8719.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_description       block
_exptl_crystal_F_000             2032
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.166
_refine_diff_density_min         -0.826
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     549
_refine_ls_number_reflns         11709
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0847
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0144P)²+19.0668P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.1021
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8606
_reflns_number_total             11709
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc03507f2.cif
_cod_data_source_block           jrr20190425_1-La
_cod_database_code               1558609
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.837
_shelx_estimated_absorpt_t_min   0.802
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C16(H16A,H16B), C23(H23A,H23B), C42(H42A,H42B), C43(H43A,
 H43B), C44(H44A,H44B), C45(H45A,H45B), C47(H47A,H47B), C48(H48A,H48B)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C13(H13), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C25(H25),
 C31(H31)
2.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C10(H10A,H10B,H10C),
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C), C30(H30A,H30B,H30C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C),
 C41(H41A,H41B,H41C), C46(H46A,H46B,H46C), C49(H49A,H49B,H49C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.69674(2) 0.53474(2) 0.32988(2) 0.02291(6) Uani 1 1 d . . . . .
Si1 Si 0.50810(8) 0.48241(8) 0.19986(7) 0.0417(3) Uani 1 1 d . . . . .
H1 H 0.583(3) 0.439(2) 0.203(2) 0.039(12) Uiso 1 1 d . . . . .
Si2 Si 0.48840(7) 0.62424(7) 0.29183(7) 0.0350(3) Uani 1 1 d . . . . .
H2 H 0.551(3) 0.677(2) 0.349(2) 0.034(11) Uiso 1 1 d . . . . .
O1 O 0.72875(17) 0.61814(15) 0.42808(15) 0.0301(6) Uani 1 1 d . . . . .
O2 O 0.75995(16) 0.41340(15) 0.33626(15) 0.0273(6) Uani 1 1 d . . . . .
O3 O 0.85772(18) 0.57060(18) 0.34616(17) 0.0391(7) Uani 1 1 d . . . . .
O4 O 0.6997(2) 0.5939(2) 0.20530(17) 0.0489(8) Uani 1 1 d . . . . .
N1 N 0.67721(18) 0.44424(17) 0.43750(16) 0.0212(6) Uani 1 1 d . . . . .
N2 N 0.5433(2) 0.5499(2) 0.26919(18) 0.0308(8) Uani 1 1 d . . . . .
C1 C 0.7561(2) 0.6165(2) 0.5023(2) 0.0245(8) Uani 1 1 d . . . . .
C2 C 0.8106(2) 0.6763(2) 0.5478(2) 0.0265(8) Uani 1 1 d . . . . .
C3 C 0.8308(3) 0.7539(2) 0.5143(2) 0.0344(10) Uani 1 1 d . . . . .
C4 C 0.7466(3) 0.7963(3) 0.4682(3) 0.0547(14) Uani 1 1 d . . . . .
H4A H 0.710672 0.759792 0.429314 0.082 Uiso 1 1 calc R U . . .
H4B H 0.758423 0.845016 0.445568 0.082 Uiso 1 1 calc R U . . .
H4C H 0.716982 0.811092 0.500431 0.082 Uiso 1 1 calc R U . . .
C5 C 0.8802(4) 0.7341(3) 0.4655(3) 0.0522(13) Uani 1 1 d . . . . .
H5A H 0.935125 0.709844 0.495969 0.078 Uiso 1 1 calc R U . . .
H5B H 0.889879 0.783746 0.442724 0.078 Uiso 1 1 calc R U . . .
H5C H 0.847234 0.696150 0.426632 0.078 Uiso 1 1 calc R U . . .
C6 C 0.8848(3) 0.8130(3) 0.5740(3) 0.0434(11) Uani 1 1 d . . . . .
H6A H 0.855363 0.826043 0.606727 0.065 Uiso 1 1 calc R U . . .
H6B H 0.893557 0.862445 0.550467 0.065 Uiso 1 1 calc R U . . .
H6C H 0.940014 0.788382 0.602937 0.065 Uiso 1 1 calc R U . . .
C7 C 0.8422(2) 0.6648(2) 0.6241(2) 0.0281(8) Uani 1 1 d . . . . .
H7 H 0.880697 0.703689 0.654805 0.034 Uiso 1 1 calc R U . . .
C8 C 0.8207(2) 0.5994(2) 0.6582(2) 0.0270(8) Uani 1 1 d . . . . .
C9 C 0.8616(3) 0.5849(3) 0.7419(2) 0.0334(9) Uani 1 1 d . . . . .
C10 C 0.9289(3) 0.5189(3) 0.7579(3) 0.0494(12) Uani 1 1 d . . . . .
H10A H 0.902956 0.470402 0.729493 0.074 Uiso 1 1 calc R U . . .
H10B H 0.952184 0.506158 0.810908 0.074 Uiso 1 1 calc R U . . .
H10C H 0.974862 0.537670 0.743546 0.074 Uiso 1 1 calc R U . . .
C11 C 0.9048(3) 0.6605(3) 0.7843(2) 0.0431(11) Uani 1 1 d . . . . .
H11A H 0.950708 0.676768 0.768840 0.065 Uiso 1 1 calc R U . . .
H11B H 0.928465 0.649180 0.837530 0.065 Uiso 1 1 calc R U . . .
H11C H 0.862945 0.704137 0.773596 0.065 Uiso 1 1 calc R U . . .
C12 C 0.7953(4) 0.5586(4) 0.7720(3) 0.0631(16) Uani 1 1 d . . . . .
H12A H 0.749463 0.598644 0.758381 0.095 Uiso 1 1 calc R U . . .
H12B H 0.822146 0.554144 0.826021 0.095 Uiso 1 1 calc R U . . .
H12C H 0.771692 0.506200 0.750776 0.095 Uiso 1 1 calc R U . . .
C13 C 0.7604(2) 0.5457(2) 0.6116(2) 0.0253(8) Uani 1 1 d . . . . .
H13 H 0.741477 0.502240 0.632878 0.030 Uiso 1 1 calc R U . . .
C14 C 0.7273(2) 0.5541(2) 0.5352(2) 0.0244(8) Uani 1 1 d . . . . .
C15 C 0.6565(2) 0.4989(2) 0.4884(2) 0.0250(8) Uani 1 1 d . . . . .
H15A H 0.638876 0.465524 0.521838 0.030 Uiso 1 1 calc R U . . .
H15B H 0.607121 0.532503 0.458475 0.030 Uiso 1 1 calc R U . . .
C16 C 0.6038(2) 0.3905(2) 0.3977(2) 0.0246(8) Uani 1 1 d . . . . .
H16A H 0.621532 0.353221 0.366921 0.029 Uiso 1 1 calc R U . . .
H16B H 0.557589 0.424524 0.363392 0.029 Uiso 1 1 calc R U . . .
C17 C 0.5660(2) 0.3398(2) 0.4422(2) 0.0253(8) Uani 1 1 d . . . . .
C18 C 0.6018(3) 0.2680(2) 0.4750(2) 0.0334(9) Uani 1 1 d . . . . .
H18 H 0.653096 0.250130 0.471643 0.040 Uiso 1 1 calc R U . . .
C19 C 0.5644(3) 0.2214(3) 0.5129(3) 0.0406(11) Uani 1 1 d . . . . .
H19 H 0.590950 0.172691 0.535829 0.049 Uiso 1 1 calc R U . . .
C20 C 0.4895(3) 0.2451(3) 0.5175(3) 0.0426(11) Uani 1 1 d . . . . .
H20 H 0.464449 0.213625 0.544268 0.051 Uiso 1 1 calc R U . . .
C21 C 0.4512(3) 0.3151(3) 0.4827(3) 0.0484(13) Uani 1 1 d . . . . .
H21 H 0.398251 0.331063 0.483903 0.058 Uiso 1 1 calc R U . . .
C22 C 0.4892(3) 0.3627(3) 0.4459(3) 0.0406(11) Uani 1 1 d . . . . .
H22 H 0.462509 0.411443 0.423013 0.049 Uiso 1 1 calc R U . . .
C23 C 0.7575(2) 0.4007(2) 0.4808(2) 0.0251(8) Uani 1 1 d . . . . .
H23A H 0.752628 0.378580 0.525882 0.030 Uiso 1 1 calc R U . . .
H23B H 0.804526 0.440480 0.497080 0.030 Uiso 1 1 calc R U . . .
C24 C 0.7822(2) 0.3330(2) 0.4420(2) 0.0231(8) Uani 1 1 d . . . . .
C25 C 0.8070(2) 0.2606(2) 0.4795(2) 0.0252(8) Uani 1 1 d . . . . .
H25 H 0.806566 0.255545 0.527669 0.030 Uiso 1 1 calc R U . . .
C26 C 0.8323(2) 0.1952(2) 0.4490(2) 0.0249(8) Uani 1 1 d . . . . .
C27 C 0.8523(3) 0.1130(2) 0.4874(2) 0.0325(9) Uani 1 1 d . . . . .
C28 C 0.8560(4) 0.1163(3) 0.5659(3) 0.0520(13) Uani 1 1 d . . . . .
H28A H 0.899592 0.155078 0.594866 0.078 Uiso 1 1 calc R U . . .
H28B H 0.870250 0.062790 0.588625 0.078 Uiso 1 1 calc R U . . .
H28C H 0.800494 0.133107 0.565053 0.078 Uiso 1 1 calc R U . . .
C29 C 0.7814(4) 0.0545(3) 0.4444(3) 0.0736(19) Uani 1 1 d . . . . .
H29A H 0.726700 0.075709 0.441957 0.110 Uiso 1 1 calc R U . . .
H29B H 0.792197 0.002083 0.469445 0.110 Uiso 1 1 calc R U . . .
H29C H 0.779615 0.048033 0.394091 0.110 Uiso 1 1 calc R U . . .
C30 C 0.9375(4) 0.0824(4) 0.4905(4) 0.075(2) Uani 1 1 d . . . . .
H30A H 0.935073 0.075683 0.440072 0.112 Uiso 1 1 calc R U . . .
H30B H 0.950241 0.030443 0.516301 0.112 Uiso 1 1 calc R U . . .
H30C H 0.982101 0.121343 0.517238 0.112 Uiso 1 1 calc R U . . .
C31 C 0.8344(2) 0.2065(2) 0.3791(2) 0.0266(8) Uani 1 1 d . . . . .
H31 H 0.851912 0.162482 0.357347 0.032 Uiso 1 1 calc R U . . .
C32 C 0.8124(2) 0.2782(2) 0.3395(2) 0.0245(8) Uani 1 1 d . . . . .
C33 C 0.8206(3) 0.2881(2) 0.2647(2) 0.0304(9) Uani 1 1 d . . . . .
C34 C 0.7332(3) 0.3062(3) 0.2033(2) 0.0337(9) Uani 1 1 d . . . . .
H34A H 0.694411 0.261106 0.199017 0.051 Uiso 1 1 calc R U . . .
H34B H 0.739576 0.313632 0.156117 0.051 Uiso 1 1 calc R U . . .
H34C H 0.709778 0.355519 0.215639 0.051 Uiso 1 1 calc R U . . .
C35 C 0.8543(3) 0.2116(3) 0.2408(2) 0.0432(12) Uani 1 1 d . . . . .
H35A H 0.909762 0.197127 0.278971 0.065 Uiso 1 1 calc R U . . .
H35B H 0.860530 0.221678 0.193921 0.065 Uiso 1 1 calc R U . . .
H35C H 0.814121 0.167182 0.234439 0.065 Uiso 1 1 calc R U . . .
C36 C 0.8833(3) 0.3564(3) 0.2706(2) 0.0364(10) Uani 1 1 d . . . . .
H36A H 0.862519 0.406546 0.284200 0.055 Uiso 1 1 calc R U . . .
H36B H 0.888169 0.363502 0.222723 0.055 Uiso 1 1 calc R U . . .
H36C H 0.939175 0.343026 0.308498 0.055 Uiso 1 1 calc R U . . .
C37 C 0.7843(2) 0.3433(2) 0.3715(2) 0.0234(8) Uani 1 1 d . . . . .
C38 C 0.4656(4) 0.5247(4) 0.1038(3) 0.0726(18) Uani 1 1 d . . . . .
H38A H 0.503883 0.567111 0.100156 0.109 Uiso 1 1 calc R U . . .
H38B H 0.408902 0.547415 0.092458 0.109 Uiso 1 1 calc R U . . .
H38C H 0.461936 0.481701 0.068325 0.109 Uiso 1 1 calc R U . . .
C39 C 0.4290(3) 0.4070(4) 0.2042(3) 0.0667(16) Uani 1 1 d . . . . .
H39A H 0.449555 0.382832 0.253682 0.100 Uiso 1 1 calc R U . . .
H39B H 0.421594 0.364850 0.167188 0.100 Uiso 1 1 calc R U . . .
H39C H 0.374393 0.433833 0.194000 0.100 Uiso 1 1 calc R U . . .
C40 C 0.4155(3) 0.5856(3) 0.3354(3) 0.0500(13) Uani 1 1 d . . . . .
H40A H 0.371863 0.551077 0.300077 0.075 Uiso 1 1 calc R U . . .
H40B H 0.388035 0.631197 0.349153 0.075 Uiso 1 1 calc R U . . .
H40C H 0.448338 0.554389 0.379803 0.075 Uiso 1 1 calc R U . . .
C41 C 0.4251(3) 0.6912(3) 0.2133(3) 0.0599(15) Uani 1 1 d . . . . .
H41A H 0.460516 0.708332 0.186688 0.090 Uiso 1 1 calc R U . . .
H41B H 0.406130 0.738651 0.232432 0.090 Uiso 1 1 calc R U . . .
H41C H 0.375417 0.661716 0.179366 0.090 Uiso 1 1 calc R U . . .
C42 C 0.9012(3) 0.6063(3) 0.3040(3) 0.0463(12) Uani 1 1 d . . . . .
H42A H 0.869247 0.653437 0.275803 0.056 Uiso 1 1 calc R U . . .
H42B H 0.907877 0.566745 0.268827 0.056 Uiso 1 1 calc R U . . .
C43 C 0.9869(3) 0.6319(3) 0.3599(3) 0.0548(14) Uani 1 1 d . . . . .
H43A H 1.029695 0.634914 0.337372 0.066 Uiso 1 1 calc R U . . .
H43B H 0.983596 0.684659 0.382204 0.066 Uiso 1 1 calc R U . . .
C44 C 1.0072(3) 0.5652(4) 0.4161(3) 0.0658(16) Uani 1 1 d . . . . .
H44A H 1.042482 0.585389 0.466230 0.079 Uiso 1 1 calc R U . . .
H44B H 1.038091 0.520885 0.403400 0.079 Uiso 1 1 calc R U . . .
C45 C 0.9206(3) 0.5364(3) 0.4125(3) 0.0452(11) Uani 1 1 d . . . . .
H45A H 0.917611 0.476780 0.410547 0.054 Uiso 1 1 calc R U . . .
H45B H 0.910994 0.554844 0.456687 0.054 Uiso 1 1 calc R U . . .
C46 C 0.6701(5) 0.5187(5) 0.0898(4) 0.093(2) Uani 1 1 d . . . . .
H46A H 0.650378 0.567162 0.059343 0.139 Uiso 1 1 calc R U . . .
H46B H 0.621816 0.492655 0.096255 0.139 Uiso 1 1 calc R U . . .
H46C H 0.695323 0.481259 0.065364 0.139 Uiso 1 1 calc R U . . .
C47 C 0.7315(4) 0.5402(4) 0.1595(3) 0.0638(15) Uani 1 1 d . . . . .
H47A H 0.778960 0.567960 0.151968 0.077 Uiso 1 1 calc R U . . .
H47B H 0.754699 0.490317 0.187851 0.077 Uiso 1 1 calc R U . . .
C48 C 0.6780(4) 0.6713(4) 0.1775(3) 0.0712(17) Uani 1 1 d . . . . .
H48A H 0.623544 0.670208 0.133658 0.085 Uiso 1 1 calc R U . . .
H48B H 0.722585 0.693239 0.162007 0.085 Uiso 1 1 calc R U . . .
C49 C 0.6696(4) 0.7224(3) 0.2352(4) 0.079(2) Uani 1 1 d . . . . .
H49A H 0.659225 0.778253 0.217606 0.118 Uiso 1 1 calc R U . . .
H49B H 0.722202 0.719824 0.279808 0.118 Uiso 1 1 calc R U . . .
H49C H 0.621814 0.703411 0.246883 0.118 Uiso 1 1 calc R U . . .
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'
La La -0.2871 2.4523 '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'
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
_geom_angle_publ_flag
O1 La1 Si1 130.53(7) . . ?
O1 La1 O2 123.05(10) . . ?
O1 La1 O3 82.31(10) . . ?
O1 La1 O4 118.24(10) . . ?
O1 La1 N1 74.84(9) . . ?
O1 La1 N2 102.24(11) . . ?
O2 La1 Si1 96.16(7) . . ?
O2 La1 O3 75.49(9) . . ?
O2 La1 O4 101.62(10) . . ?
O2 La1 N1 70.39(9) . . ?
O2 La1 N2 121.18(11) . . ?
O3 La1 Si1 141.03(7) . . ?
O3 La1 N1 117.10(9) . . ?
O4 La1 Si1 75.62(8) . . ?
O4 La1 O3 69.23(10) . . ?
O4 La1 N1 166.75(10) . . ?
N1 La1 Si1 94.39(7) . . ?
N2 La1 Si1 28.53(8) . . ?
N2 La1 O3 152.34(10) . . ?
N2 La1 O4 85.01(11) . . ?
N2 La1 N1 90.22(10) . . ?
La1 Si1 H1 61.9(16) . . ?
N2 Si1 La1 43.67(11) . . ?
N2 Si1 H1 105.5(16) . . ?
N2 Si1 C38 116.2(3) . . ?
N2 Si1 C39 116.6(2) . . ?
C38 Si1 La1 123.4(2) . . ?
C38 Si1 H1 102.6(16) . . ?
C39 Si1 La1 129.54(19) . . ?
C39 Si1 H1 107.7(16) . . ?
C39 Si1 C38 107.1(3) . . ?
N2 Si2 H2 108.1(15) . . ?
N2 Si2 C40 113.5(2) . . ?
N2 Si2 C41 114.5(2) . . ?
C40 Si2 H2 105.3(15) . . ?
C41 Si2 H2 106.9(15) . . ?
C41 Si2 C40 107.8(2) . . ?
C1 O1 La1 141.0(2) . . ?
C37 O2 La1 148.1(2) . . ?
C42 O3 La1 138.7(3) . . ?
C42 O3 C45 108.2(3) . . ?
C45 O3 La1 112.7(2) . . ?
C47 O4 La1 118.0(3) . . ?
C48 O4 La1 127.4(4) . . ?
C48 O4 C47 114.5(4) . . ?
C15 N1 La1 108.4(2) . . ?
C16 N1 La1 104.9(2) . . ?
C16 N1 C15 110.3(3) . . ?
C16 N1 C23 114.1(3) . . ?
C23 N1 La1 110.4(2) . . ?
C23 N1 C15 108.6(3) . . ?
Si1 N2 La1 107.80(16) . . ?
Si1 N2 Si2 129.1(2) . . ?
Si2 N2 La1 122.81(18) . . ?
O1 C1 C2 122.4(3) . . ?
O1 C1 C14 118.4(3) . . ?
C14 C1 C2 119.2(3) . . ?
C1 C2 C3 121.2(3) . . ?
C7 C2 C1 117.8(3) . . ?
C7 C2 C3 121.0(3) . . ?
C4 C3 C2 108.6(3) . . ?
C5 C3 C2 110.7(3) . . ?
C5 C3 C4 110.2(4) . . ?
C6 C3 C2 112.1(3) . . ?
C6 C3 C4 107.7(4) . . ?
C6 C3 C5 107.5(4) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7 118.1 . . ?
C2 C7 C8 123.9(3) . . ?
C8 C7 H7 118.1 . . ?
C7 C8 C9 122.7(3) . . ?
C7 C8 C13 116.4(4) . . ?
C13 C8 C9 120.8(3) . . ?
C10 C9 C8 109.0(3) . . ?
C11 C9 C8 112.0(3) . . ?
C11 C9 C10 108.2(4) . . ?
C12 C9 C8 111.2(4) . . ?
C12 C9 C10 109.1(4) . . ?
C12 C9 C11 107.4(4) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C13 H13 119.0 . . ?
C14 C13 C8 121.9(3) . . ?
C14 C13 H13 119.0 . . ?
C1 C14 C15 120.5(3) . . ?
C13 C14 C1 120.1(3) . . ?
C13 C14 C15 119.3(3) . . ?
N1 C15 C14 115.8(3) . . ?
N1 C15 H15A 108.3 . . ?
N1 C15 H15B 108.3 . . ?
C14 C15 H15A 108.3 . . ?
C14 C15 H15B 108.3 . . ?
H15A C15 H15B 107.4 . . ?
N1 C16 H16A 107.5 . . ?
N1 C16 H16B 107.5 . . ?
N1 C16 C17 119.2(3) . . ?
H16A C16 H16B 107.0 . . ?
C17 C16 H16A 107.5 . . ?
C17 C16 H16B 107.5 . . ?
C18 C17 C16 122.3(3) . . ?
C18 C17 C22 117.8(4) . . ?
C22 C17 C16 119.7(4) . . ?
C17 C18 H18 119.4 . . ?
C17 C18 C19 121.3(4) . . ?
C19 C18 H18 119.4 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.6(4) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 120.6 . . ?
C19 C20 C21 118.8(4) . . ?
C21 C20 H20 120.6 . . ?
C20 C21 H21 119.6 . . ?
C20 C21 C22 120.8(4) . . ?
C22 C21 H21 119.6 . . ?
C17 C22 H22 119.7 . . ?
C21 C22 C17 120.6(4) . . ?
C21 C22 H22 119.7 . . ?
N1 C23 H23A 108.1 . . ?
N1 C23 H23B 108.1 . . ?
N1 C23 C24 116.8(3) . . ?
H23A C23 H23B 107.3 . . ?
C24 C23 H23A 108.1 . . ?
C24 C23 H23B 108.1 . . ?
C25 C24 C23 117.9(3) . . ?
C25 C24 C37 120.4(3) . . ?
C37 C24 C23 121.6(3) . . ?
C24 C25 H25 118.9 . . ?
C26 C25 C24 122.2(3) . . ?
C26 C25 H25 118.9 . . ?
C25 C26 C27 122.2(3) . . ?
C25 C26 C31 116.7(3) . . ?
C31 C26 C27 121.1(3) . . ?
C28 C27 C26 112.4(3) . . ?
C28 C27 C29 107.1(4) . . ?
C29 C27 C26 108.5(4) . . ?
C30 C27 C26 110.3(4) . . ?
C30 C27 C28 108.0(4) . . ?
C30 C27 C29 110.5(5) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31 118.0 . . ?
C32 C31 C26 123.9(3) . . ?
C32 C31 H31 118.0 . . ?
C31 C32 C33 121.4(3) . . ?
C31 C32 C37 117.9(3) . . ?
C37 C32 C33 120.7(3) . . ?
C32 C33 C34 110.4(3) . . ?
C32 C33 C35 112.7(3) . . ?
C34 C33 C35 106.6(3) . . ?
C36 C33 C32 109.1(3) . . ?
C36 C33 C34 110.4(3) . . ?
C36 C33 C35 107.5(3) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O2 C37 C24 119.6(3) . . ?
O2 C37 C32 121.6(3) . . ?
C24 C37 C32 118.9(3) . . ?
Si1 C38 H38A 109.5 . . ?
Si1 C38 H38B 109.5 . . ?
Si1 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si1 C39 H39A 109.5 . . ?
Si1 C39 H39B 109.5 . . ?
Si1 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si2 C40 H40A 109.5 . . ?
Si2 C40 H40B 109.5 . . ?
Si2 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si2 C41 H41A 109.5 . . ?
Si2 C41 H41B 109.5 . . ?
Si2 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O3 C42 H42A 110.6 . . ?
O3 C42 H42B 110.6 . . ?
O3 C42 C43 105.7(4) . . ?
H42A C42 H42B 108.7 . . ?
C43 C42 H42A 110.6 . . ?
C43 C42 H42B 110.6 . . ?
C42 C43 H43A 111.4 . . ?
C42 C43 H43B 111.4 . . ?
H43A C43 H43B 109.2 . . ?
C44 C43 C42 102.0(4) . . ?
C44 C43 H43A 111.4 . . ?
C44 C43 H43B 111.4 . . ?
C43 C44 H44A 110.8 . . ?
C43 C44 H44B 110.8 . . ?
C43 C44 C45 104.6(4) . . ?
H44A C44 H44B 108.9 . . ?
C45 C44 H44A 110.8 . . ?
C45 C44 H44B 110.8 . . ?
O3 C45 C44 106.6(4) . . ?
O3 C45 H45A 110.4 . . ?
O3 C45 H45B 110.4 . . ?
C44 C45 H45A 110.4 . . ?
C44 C45 H45B 110.4 . . ?
H45A C45 H45B 108.6 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C47 C46 H46A 109.5 . . ?
C47 C46 H46B 109.5 . . ?
C47 C46 H46C 109.5 . . ?
O4 C47 H47A 108.5 . . ?
O4 C47 H47B 108.5 . . ?
C46 C47 O4 115.1(5) . . ?
C46 C47 H47A 108.5 . . ?
C46 C47 H47B 108.5 . . ?
H47A C47 H47B 107.5 . . ?
O4 C48 H48A 109.9 . . ?
O4 C48 H48B 109.9 . . ?
O4 C48 C49 108.8(5) . . ?
H48A C48 H48B 108.3 . . ?
C49 C48 H48A 109.9 . . ?
C49 C48 H48B 109.9 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La1 Si1 3.3497(13) . ?
La1 O1 2.258(3) . ?
La1 O2 2.263(2) . ?
La1 O3 2.703(3) . ?
La1 O4 2.650(3) . ?
La1 N1 2.712(3) . ?
La1 N2 2.429(3) . ?
Si1 H1 1.45(4) . ?
Si1 N2 1.681(4) . ?
Si1 C38 1.872(5) . ?
Si1 C39 1.864(6) . ?
Si2 H2 1.50(4) . ?
Si2 N2 1.708(3) . ?
Si2 C40 1.873(5) . ?
Si2 C41 1.865(5) . ?
O1 C1 1.344(4) . ?
O2 C37 1.333(4) . ?
O3 C42 1.434(5) . ?
O3 C45 1.442(5) . ?
O4 C47 1.507(6) . ?
O4 C48 1.388(6) . ?
N1 C15 1.488(4) . ?
N1 C16 1.486(4) . ?
N1 C23 1.488(5) . ?
C1 C2 1.414(5) . ?
C1 C14 1.405(5) . ?
C2 C3 1.544(5) . ?
C2 C7 1.392(5) . ?
C3 C4 1.537(6) . ?
C3 C5 1.536(6) . ?
C3 C6 1.529(6) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7 0.9500 . ?
C7 C8 1.395(5) . ?
C8 C9 1.532(5) . ?
C8 C13 1.398(5) . ?
C9 C10 1.529(6) . ?
C9 C11 1.527(6) . ?
C9 C12 1.526(6) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 0.9500 . ?
C13 C14 1.386(5) . ?
C14 C15 1.508(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.524(5) . ?
C17 C18 1.378(5) . ?
C17 C22 1.391(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.385(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.373(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.377(7) . ?
C21 H21 0.9500 . ?
C21 C22 1.387(6) . ?
C22 H22 0.9500 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.503(5) . ?
C24 C25 1.386(5) . ?
C24 C37 1.406(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.386(5) . ?
C26 C27 1.530(5) . ?
C26 C31 1.396(5) . ?
C27 C28 1.517(6) . ?
C27 C29 1.525(7) . ?
C27 C30 1.516(6) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31 0.9500 . ?
C31 C32 1.390(5) . ?
C32 C33 1.533(5) . ?
C32 C37 1.424(5) . ?
C33 C34 1.539(6) . ?
C33 C35 1.539(5) . ?
C33 C36 1.531(6) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.506(7) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C44 1.503(7) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C45 1.527(6) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C46 C47 1.405(8) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C49 1.465(9) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
La1 Si1 N2 Si2 174.1(4) . . . . ?
La1 O1 C1 C2 144.7(3) . . . . ?
La1 O1 C1 C14 -37.1(5) . . . . ?
La1 O2 C37 C24 -11.3(7) . . . . ?
La1 O2 C37 C32 168.6(3) . . . . ?
La1 O3 C42 C43 160.2(3) . . . . ?
La1 O3 C45 C44 -177.1(3) . . . . ?
La1 O4 C47 C46 114.2(5) . . . . ?
La1 O4 C48 C49 11.9(7) . . . . ?
La1 N1 C15 C14 -68.6(3) . . . . ?
La1 N1 C16 C17 -170.7(3) . . . . ?
La1 N1 C23 C24 -70.6(3) . . . . ?
O1 C1 C2 C3 9.5(6) . . . . ?
O1 C1 C2 C7 -173.6(3) . . . . ?
O1 C1 C14 C13 173.7(3) . . . . ?
O1 C1 C14 C15 -10.1(5) . . . . ?
O3 C42 C43 C44 36.4(5) . . . . ?
N1 C16 C17 C18 -80.8(5) . . . . ?
N1 C16 C17 C22 104.1(4) . . . . ?
N1 C23 C24 C25 -132.8(4) . . . . ?
N1 C23 C24 C37 50.3(5) . . . . ?
C1 C2 C3 C4 56.3(5) . . . . ?
C1 C2 C3 C5 -64.8(5) . . . . ?
C1 C2 C3 C6 175.2(4) . . . . ?
C1 C2 C7 C8 -2.5(6) . . . . ?
C1 C14 C15 N1 67.6(5) . . . . ?
C2 C1 C14 C13 -8.0(5) . . . . ?
C2 C1 C14 C15 168.2(3) . . . . ?
C2 C7 C8 C9 175.3(4) . . . . ?
C2 C7 C8 C13 -3.4(6) . . . . ?
C3 C2 C7 C8 174.4(4) . . . . ?
C7 C2 C3 C4 -120.5(4) . . . . ?
C7 C2 C3 C5 118.3(4) . . . . ?
C7 C2 C3 C6 -1.7(6) . . . . ?
C7 C8 C9 C10 -101.8(4) . . . . ?
C7 C8 C9 C11 17.8(5) . . . . ?
C7 C8 C9 C12 138.0(4) . . . . ?
C7 C8 C13 C14 3.7(5) . . . . ?
C8 C13 C14 C1 1.9(5) . . . . ?
C8 C13 C14 C15 -174.4(3) . . . . ?
C9 C8 C13 C14 -175.0(3) . . . . ?
C13 C8 C9 C10 76.8(5) . . . . ?
C13 C8 C9 C11 -163.5(4) . . . . ?
C13 C8 C9 C12 -43.4(5) . . . . ?
C13 C14 C15 N1 -116.2(4) . . . . ?
C14 C1 C2 C3 -168.7(3) . . . . ?
C14 C1 C2 C7 8.2(5) . . . . ?
C15 N1 C16 C17 -54.1(4) . . . . ?
C15 N1 C23 C24 170.7(3) . . . . ?
C16 N1 C15 C14 177.1(3) . . . . ?
C16 N1 C23 C24 47.2(4) . . . . ?
C16 C17 C18 C19 -177.5(4) . . . . ?
C16 C17 C22 C21 176.5(4) . . . . ?
C17 C18 C19 C20 1.2(7) . . . . ?
C18 C17 C22 C21 1.1(7) . . . . ?
C18 C19 C20 C21 1.2(7) . . . . ?
C19 C20 C21 C22 -2.4(7) . . . . ?
C20 C21 C22 C17 1.2(7) . . . . ?
C22 C17 C18 C19 -2.3(6) . . . . ?
C23 N1 C15 C14 51.4(4) . . . . ?
C23 N1 C16 C17 68.4(4) . . . . ?
C23 C24 C25 C26 -178.8(3) . . . . ?
C23 C24 C37 O2 -3.3(5) . . . . ?
C23 C24 C37 C32 176.7(3) . . . . ?
C24 C25 C26 C27 -174.7(4) . . . . ?
C24 C25 C26 C31 2.0(6) . . . . ?
C25 C24 C37 O2 179.8(3) . . . . ?
C25 C24 C37 C32 -0.1(5) . . . . ?
C25 C26 C27 C28 -9.8(6) . . . . ?
C25 C26 C27 C29 108.5(5) . . . . ?
C25 C26 C27 C30 -130.3(5) . . . . ?
C25 C26 C31 C32 -0.4(6) . . . . ?
C26 C31 C32 C33 176.8(4) . . . . ?
C26 C31 C32 C37 -1.5(6) . . . . ?
C27 C26 C31 C32 176.4(4) . . . . ?
C31 C26 C27 C28 173.6(4) . . . . ?
C31 C26 C27 C29 -68.1(5) . . . . ?
C31 C26 C27 C30 53.1(6) . . . . ?
C31 C32 C33 C34 119.3(4) . . . . ?
C31 C32 C33 C35 0.2(5) . . . . ?
C31 C32 C33 C36 -119.1(4) . . . . ?
C31 C32 C37 O2 -178.2(3) . . . . ?
C31 C32 C37 C24 1.7(5) . . . . ?
C33 C32 C37 O2 3.5(5) . . . . ?
C33 C32 C37 C24 -176.6(3) . . . . ?
C37 C24 C25 C26 -1.8(6) . . . . ?
C37 C32 C33 C34 -62.5(5) . . . . ?
C37 C32 C33 C35 178.4(4) . . . . ?
C37 C32 C33 C36 59.0(5) . . . . ?
C38 Si1 N2 La1 -111.9(2) . . . . ?
C38 Si1 N2 Si2 62.2(3) . . . . ?
C39 Si1 N2 La1 120.5(2) . . . . ?
C39 Si1 N2 Si2 -65.4(4) . . . . ?
C40 Si2 N2 La1 -113.3(2) . . . . ?
C40 Si2 N2 Si1 73.4(3) . . . . ?
C41 Si2 N2 La1 122.3(3) . . . . ?
C41 Si2 N2 Si1 -51.0(3) . . . . ?
C42 O3 C45 C44 9.4(5) . . . . ?
C42 C43 C44 C45 -29.8(6) . . . . ?
C43 C44 C45 O3 13.6(6) . . . . ?
C45 O3 C42 C43 -29.0(5) . . . . ?
C47 O4 C48 C49 -165.6(5) . . . . ?
C48 O4 C47 C46 -68.1(7) . . . . ?
