#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:52:11 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180521 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/90/7219094.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_7219094
loop_
_publ_author_name
'Cheng, Hao'
'Zhao, Bei'
'Yao, Yingming'
'Lu, Chengrong'
_publ_section_title
;
 Carboxylation of terminal alkynes with CO2catalyzed by bis(amidate)
 rare-earth metal amides
;
_journal_issue                   3
_journal_name_full               'Green Chem.'
_journal_page_first              1675
_journal_paper_doi               10.1039/C4GC02200A
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C76 H124 N6 O6 Si4 La2, 3(C4 H8 O)'
_chemical_formula_sum            'C88 H148 La2 N6 O9 Si4'
_chemical_formula_weight         1824.30
_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
_audit_update_record
;
2014-07-31 deposited with the CCDC.
2014-12-11 downloaded from the CCDC.
;
_cell_angle_alpha                108.936(2)
_cell_angle_beta                 106.425(2)
_cell_angle_gamma                98.499(2)
_cell_formula_units_Z            1
_cell_length_a                   13.963(2)
_cell_length_b                   14.045(2)
_cell_length_c                   15.374(3)
_cell_measurement_reflns_used    9545
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2638.4(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_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 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0601
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24227
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    0.893
_exptl_absorpt_correction_T_max  0.693
_exptl_absorpt_correction_T_min  0.482
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.148
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.738
_refine_diff_density_min         -1.148
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         11850
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0564
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0851P)²+2.1440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1586
_refine_ls_wR_factor_ref         0.1682
_reflns_number_gt                10069
_reflns_number_total             11850
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4gc02200a2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
'Adding full bibliography for 7219093--7219095.cif.'
_cod_original_cell_volume        2638.5(7)
_cod_database_code               7219094
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 0.979575(12) 0.629351(13) 0.606904(12) 0.03985(5) Uani 1 1 d . . .
Si1 Si 1.07855(9) 0.61054(10) 0.82767(8) 0.0679(3) Uani 1 1 d . . .
Si2 Si 1.00244(10) 0.80399(10) 0.85103(8) 0.0706(4) Uani 1 1 d . . .
O1 O 0.85794(17) 0.69047(18) 0.52358(17) 0.0545(6) Uani 1 1 d . . .
O2 O 0.90008(15) 0.43629(18) 0.47060(16) 0.0508(6) Uani 1 1 d . . .
O3 O 1.0937(2) 0.8016(2) 0.6234(2) 0.0882(9) Uani 1 1 d U C .
N1 N 0.6821(2) 0.6150(2) 0.4823(2) 0.0526(8) Uani 1 1 d . . .
N2 N 0.80701(18) 0.4948(2) 0.56210(18) 0.0426(6) Uani 1 1 d . . .
N3 N 1.0246(2) 0.6932(2) 0.78194(19) 0.0507(8) Uani 1 1 d . . .
C1 C 0.7599(3) 0.6527(3) 0.4636(2) 0.0510(9) Uani 1 1 d . . .
C2 C 0.7401(3) 0.6553(3) 0.3636(3) 0.0545(9) Uani 1 1 d . . .
C3 C 0.8068(3) 0.7273(3) 0.3493(3) 0.0710(12) Uani 1 1 d . . .
H3 H 0.8657 0.7735 0.4026 0.085 Uiso 1 1 calc R . .
C4 C 0.7877(4) 0.7319(3) 0.2571(3) 0.0812(14) Uani 1 1 d . . .
H4 H 0.8335 0.7825 0.2498 0.097 Uiso 1 1 calc R . .
C5 C 0.7053(4) 0.6661(3) 0.1776(3) 0.0759(13) Uani 1 1 d . A .
C6 C 0.6425(4) 0.5919(4) 0.1913(3) 0.0891(17) Uani 1 1 d . . .
H6 H 0.5869 0.5425 0.1366 0.107 Uiso 1 1 calc R . .
C7 C 0.6576(3) 0.5869(3) 0.2828(3) 0.0687(12) Uani 1 1 d . . .
H7 H 0.6111 0.5363 0.2894 0.082 Uiso 1 1 calc R . .
C8 C 0.6834(4) 0.6692(4) 0.0743(4) 0.111(2) Uani 1 1 d D . .
C9 C 0.6587(10) 0.5541(8) -0.0009(9) 0.116(4) Uiso 0.50 1 d PDU A 1
H9A H 0.7207 0.5297 0.0102 0.174 Uiso 0.50 1 calc PR A 1
H9B H 0.6347 0.5521 -0.0674 0.174 Uiso 0.50 1 calc PR A 1
H9C H 0.6052 0.5096 0.0079 0.174 Uiso 0.50 1 calc PR A 1
C10 C 0.7678(8) 0.7449(9) 0.0706(9) 0.116(4) Uiso 0.50 1 d PDU A 1
H10A H 0.7542 0.7384 0.0032 0.175 Uiso 0.50 1 calc PR A 1
H10B H 0.8336 0.7301 0.0954 0.175 Uiso 0.50 1 calc PR A 1
H10C H 0.7705 0.8153 0.1107 0.175 Uiso 0.50 1 calc PR A 1
C11 C 0.5749(8) 0.7015(10) 0.0482(10) 0.128(4) Uiso 0.50 1 d PDU A 1
H11A H 0.5186 0.6443 0.0370 0.192 Uiso 0.50 1 calc PR A 1
H11B H 0.5630 0.7167 -0.0106 0.192 Uiso 0.50 1 calc PR A 1
H11C H 0.5783 0.7629 0.1025 0.192 Uiso 0.50 1 calc PR A 1
C9A C 0.7337(10) 0.5939(10) 0.0183(10) 0.139(4) Uiso 0.50 1 d PDU A 2
H9A1 H 0.8080 0.6155 0.0530 0.209 Uiso 0.50 1 calc PR A 2
H9A2 H 0.7193 0.5944 -0.0471 0.209 Uiso 0.50 1 calc PR A 2
H9A3 H 0.7060 0.5240 0.0132 0.209 Uiso 0.50 1 calc PR A 2
C10A C 0.7368(9) 0.7826(7) 0.0865(9) 0.105(3) Uiso 0.50 1 d PDU A 2
H10D H 0.8113 0.7939 0.1093 0.157 Uiso 0.50 1 calc PR A 2
H10E H 0.7182 0.8339 0.1341 0.157 Uiso 0.50 1 calc PR A 2
H10F H 0.7134 0.7895 0.0237 0.157 Uiso 0.50 1 calc PR A 2
C11A C 0.5709(9) 0.6485(13) 0.0093(11) 0.150(5) Uiso 0.50 1 d PDU A 2
H11D H 0.5358 0.5754 -0.0131 0.225 Uiso 0.50 1 calc PR A 2
H11E H 0.5693 0.6661 -0.0471 0.225 Uiso 0.50 1 calc PR A 2
H11F H 0.5363 0.6911 0.0467 0.225 Uiso 0.50 1 calc PR A 2
C12 C 0.6977(2) 0.6125(3) 0.5791(2) 0.0497(9) Uani 1 1 d . . .
H12 H 0.7612 0.6670 0.6272 0.060 Uiso 1 1 calc R . .
C13 C 0.6051(3) 0.6353(3) 0.6083(3) 0.0655(12) Uani 1 1 d . . .
H13A H 0.6030 0.7068 0.6153 0.079 Uiso 1 1 calc R . .
H13B H 0.5413 0.5879 0.5556 0.079 Uiso 1 1 calc R . .
C14 C 0.6086(3) 0.6233(4) 0.7032(3) 0.0775(14) Uani 1 1 d . . .
H14A H 0.5455 0.6345 0.7160 0.093 Uiso 1 1 calc R . .
H14B H 0.6678 0.6763 0.7576 0.093 Uiso 1 1 calc R . .
C15 C 0.6180(3) 0.5160(4) 0.6983(3) 0.0751(13) Uani 1 1 d . . .
H15A H 0.5559 0.4631 0.6479 0.090 Uiso 1 1 calc R . .
H15B H 0.6237 0.5111 0.7616 0.090 Uiso 1 1 calc R . .
C16 C 0.7136(3) 0.4953(3) 0.6735(2) 0.0574(9) Uani 1 1 d . . .
H16A H 0.7758 0.5450 0.7268 0.069 Uiso 1 1 calc R . .
H16B H 0.7176 0.4248 0.6687 0.069 Uiso 1 1 calc R . .
C17 C 0.7107(2) 0.5054(3) 0.5782(2) 0.0476(9) Uani 1 1 d . . .
H17 H 0.6524 0.4499 0.5233 0.057 Uiso 1 1 calc R . .
C18 C 0.8102(2) 0.4265(2) 0.4842(2) 0.0423(8) Uani 1 1 d . . .
C19 C 0.7216(2) 0.3392(2) 0.4070(2) 0.0435(8) Uani 1 1 d . . .
C20 C 0.6898(3) 0.3308(3) 0.3106(3) 0.0575(10) Uani 1 1 d . . .
H20 H 0.7248 0.3803 0.2934 0.069 Uiso 1 1 calc R . .
C21 C 0.6066(3) 0.2499(3) 0.2386(3) 0.0611(11) Uani 1 1 d . . .
H21 H 0.5863 0.2462 0.1736 0.073 Uiso 1 1 calc R . .
C22 C 0.5527(3) 0.1746(3) 0.2598(2) 0.0511(9) Uani 1 1 d . . .
C23 C 0.5856(3) 0.1842(3) 0.3563(3) 0.0587(10) Uani 1 1 d . . .
H23 H 0.5513 0.1341 0.3732 0.070 Uiso 1 1 calc R . .
C24 C 0.6673(3) 0.2649(3) 0.4293(2) 0.0550(9) Uani 1 1 d . . .
H24 H 0.6862 0.2693 0.4945 0.066 Uiso 1 1 calc R . .
C25 C 0.4617(3) 0.0836(3) 0.1798(3) 0.0666(12) Uani 1 1 d . . .
C26 C 0.5057(5) -0.0096(4) 0.1447(5) 0.131(3) Uani 1 1 d . . .
H26A H 0.5092 -0.0469 0.1882 0.197 Uiso 1 1 calc R . .
H26B H 0.5747 0.0151 0.1453 0.197 Uiso 1 1 calc R . .
H26C H 0.4613 -0.0561 0.0784 0.197 Uiso 1 1 calc R . .
C27 C 0.3792(4) 0.0557(5) 0.2200(4) 0.136(3) Uani 1 1 d . . .
H27A H 0.3171 0.0091 0.1660 0.204 Uiso 1 1 calc R . .
H27B H 0.3636 0.1187 0.2556 0.204 Uiso 1 1 calc R . .
H27C H 0.4040 0.0213 0.2640 0.204 Uiso 1 1 calc R . .
C28 C 0.4122(5) 0.1124(5) 0.0922(4) 0.116(2) Uani 1 1 d . . .
H28A H 0.3501 0.0580 0.0467 0.173 Uiso 1 1 calc R . .
H28B H 0.4608 0.1196 0.0590 0.173 Uiso 1 1 calc R . .
H28C H 0.3944 0.1779 0.1157 0.173 Uiso 1 1 calc R . .
C29 C 1.0688(4) 0.4910(3) 0.7209(3) 0.0775(12) Uani 1 1 d . . .
H29A H 0.9966 0.4577 0.6801 0.116 Uiso 1 1 calc R . .
H29B H 1.0990 0.4427 0.7454 0.116 Uiso 1 1 calc R . .
H29C H 1.1058 0.5111 0.6822 0.116 Uiso 1 1 calc R . .
C30 C 1.0095(5) 0.5590(5) 0.8996(4) 0.1143(19) Uani 1 1 d . . .
H30A H 1.0249 0.6136 0.9635 0.171 Uiso 1 1 calc R . .
H30B H 1.0329 0.4999 0.9082 0.171 Uiso 1 1 calc R . .
H30C H 0.9355 0.5373 0.8640 0.171 Uiso 1 1 calc R . .
C31 C 1.2185(4) 0.6653(5) 0.9063(4) 0.112(2) Uani 1 1 d . . .
H31A H 1.2489 0.7209 0.8901 0.168 Uiso 1 1 calc R . .
H31B H 1.2540 0.6106 0.8948 0.168 Uiso 1 1 calc R . .
H31C H 1.2252 0.6928 0.9750 0.168 Uiso 1 1 calc R . .
C32 C 0.9122(4) 0.7794(5) 0.9165(4) 0.116(2) Uani 1 1 d . . .
H32A H 0.8420 0.7489 0.8695 0.174 Uiso 1 1 calc R . .
H32B H 0.9157 0.8449 0.9661 0.174 Uiso 1 1 calc R . .
H32C H 0.9325 0.7319 0.9476 0.174 Uiso 1 1 calc R . .
C33 C 1.1223(5) 0.9012(5) 0.9482(4) 0.126(3) Uani 1 1 d . . .
H33A H 1.1562 0.8697 0.9917 0.190 Uiso 1 1 calc R . .
H33B H 1.1042 0.9614 0.9856 0.190 Uiso 1 1 calc R . .
H33C H 1.1688 0.9228 0.9176 0.190 Uiso 1 1 calc R . .
C34 C 0.9410(4) 0.8739(4) 0.7791(5) 0.103(2) Uani 1 1 d . . .
H34A H 0.9227 0.9310 0.8210 0.155 Uiso 1 1 calc R . .
H34B H 0.8790 0.8265 0.7256 0.155 Uiso 1 1 calc R . .
H34C H 0.9887 0.9014 0.7524 0.155 Uiso 1 1 calc R . .
C35 C 1.1795(4) 0.8792(4) 0.7044(4) 0.0921(14) Uani 1 1 d U . .
H35A H 1.2385 0.8504 0.7220 0.111 Uiso 1 1 calc R B 1
H35B H 1.1601 0.9077 0.7621 0.111 Uiso 1 1 calc R B 1
C36 C 1.2054(12) 0.9656(11) 0.6625(10) 0.129(5) Uiso 0.50 1 d P C 1
H36A H 1.2106 1.0348 0.7089 0.155 Uiso 0.50 1 calc PR C 1
H36B H 1.2713 0.9664 0.6515 0.155 Uiso 0.50 1 calc PR C 1
C37 C 1.1179(11) 0.9371(10) 0.5666(10) 0.122(4) Uiso 0.50 1 d P C 1
H37A H 1.0674 0.9776 0.5754 0.147 Uiso 0.50 1 calc PR C 1
H37B H 1.1437 0.9481 0.5166 0.147 Uiso 0.50 1 calc PR C 1
C36A C 1.1753(11) 0.9855(10) 0.7070(10) 0.122(5) Uiso 0.50 1 d P C 2
H36C H 1.1482 1.0208 0.7574 0.146 Uiso 0.50 1 calc PR C 2
H36D H 1.2443 1.0280 0.7212 0.146 Uiso 0.50 1 calc PR C 2
C37A C 1.1216(11) 0.9727(10) 0.6313(10) 0.119(4) Uiso 0.50 1 d P C 2
H37C H 1.1575 1.0147 0.6043 0.143 Uiso 0.50 1 calc PR C 2
H37D H 1.0612 0.9980 0.6376 0.143 Uiso 0.50 1 calc PR C 2
C38 C 1.0757(5) 0.8327(5) 0.5419(5) 0.1255(17) Uani 1 1 d U . .
H38A H 1.1044 0.7917 0.4957 0.151 Uiso 1 1 calc R C 1
H38B H 1.0008 0.8162 0.5079 0.151 Uiso 1 1 calc R C 1
O4 O 0.5457(10) 0.8286(10) 0.3150(9) 0.2191(18) Uiso 0.50 1 d PDU D 1
C39 C 0.6233(13) 0.8931(16) 0.4085(10) 0.2166(17) Uiso 0.50 1 d PDU D 1
C40 C 0.5724(12) 0.8657(15) 0.4798(12) 0.2143(17) Uiso 0.50 1 d PDU D 1
C41 C 0.4738(14) 0.7866(16) 0.4104(10) 0.2141(19) Uiso 0.50 1 d PDU D 1
C42 C 0.4688(14) 0.7440(14) 0.3029(11) 0.2170(19) Uiso 0.50 1 d PDU D 1
O4A O 0.5597(9) 0.9264(10) 0.3703(9) 0.2154(19) Uiso 0.50 1 d PDU E 2
C39A C 0.6404(15) 0.9505(11) 0.4583(11) 0.2158(19) Uiso 0.50 1 d PDU E 2
C40A C 0.6291(13) 0.8614(12) 0.4956(13) 0.2146(19) Uiso 0.50 1 d PDU E 2
C41A C 0.5285(13) 0.7841(12) 0.4165(13) 0.2118(17) Uiso 0.50 1 d PDU E 2
C42A C 0.4742(14) 0.8419(13) 0.3541(15) 0.2175(18) Uiso 0.50 1 d PDU E 2
O5 O 0.1437(10) 0.7559(9) 0.3027(8) 0.251(3) Uiso 0.50 1 d PDU . .
C43 C 0.1590(15) 0.7524(10) 0.2101(11) 0.246(3) Uiso 0.50 1 d PDU . .
C44 C 0.1422(13) 0.8572(11) 0.2024(10) 0.244(3) Uiso 0.50 1 d PDU . .
C45 C 0.0944(14) 0.9060(10) 0.2836(11) 0.245(3) Uiso 0.50 1 d PDU . .
C46 C 0.0960(14) 0.8355(12) 0.3418(12) 0.245(3) Uiso 0.50 1 d PDU . .
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 116.77(10) . .
O1 La1 O2 117.63(9) . 2_766
N3 La1 O2 121.12(9) . 2_766
O1 La1 O3 79.37(10) . .
N3 La1 O3 90.25(10) . .
O2 La1 O3 79.16(10) 2_766 .
O1 La1 N2 76.41(9) . .
N3 La1 N2 97.03(9) . .
O2 La1 N2 115.89(8) 2_766 .
O3 La1 N2 155.45(10) . .
O1 La1 O2 92.36(8) . .
N3 La1 O2 130.84(9) . .
O2 La1 O2 66.43(7) 2_766 .
O3 La1 O2 135.77(10) . .
N2 La1 O2 50.04(7) . .
O1 La1 C18 80.43(8) . .
N3 La1 C18 117.47(9) . .
O2 La1 C18 92.16(8) 2_766 .
O3 La1 C18 151.02(10) . .
N2 La1 C18 24.75(8) . .
O2 La1 C18 25.74(8) . .
O1 La1 Si1 141.98(7) . .
N3 La1 Si1 27.95(8) . .
O2 La1 Si1 100.12(6) 2_766 .
O3 La1 Si1 105.04(8) . .
N2 La1 Si1 91.77(6) . .
O2 La1 Si1 107.57(6) . .
C18 La1 Si1 103.69(7) . .
N3 Si1 C31 114.4(2) . .
N3 Si1 C29 108.12(17) . .
C31 Si1 C29 106.8(3) . .
N3 Si1 C30 114.6(2) . .
C31 Si1 C30 107.4(3) . .
C29 Si1 C30 104.8(2) . .
N3 Si1 La1 41.33(9) . .
C31 Si1 La1 122.7(2) . .
C29 Si1 La1 67.03(14) . .
C30 Si1 La1 129.66(18) . .
N3 Si2 C34 113.5(2) . .
N3 Si2 C33 113.6(3) . .
C34 Si2 C33 105.6(3) . .
N3 Si2 C32 113.4(2) . .
C34 Si2 C32 103.9(3) . .
C33 Si2 C32 105.9(3) . .
C1 O1 La1 136.5(2) . .
C18 O2 La1 152.93(18) . 2_766
C18 O2 La1 93.47(16) . .
La1 O2 La1 113.57(7) 2_766 .
C38 O3 C35 108.2(4) . .
C38 O3 La1 120.3(3) . .
C35 O3 La1 131.5(3) . .
C1 N1 C12 119.5(3) . .
C18 N2 C17 122.9(2) . .
C18 N2 La1 97.65(19) . .
C17 N2 La1 132.69(19) . .
Si1 N3 Si2 124.42(17) . .
Si1 N3 La1 110.72(14) . .
Si2 N3 La1 124.84(17) . .
N1 C1 O1 127.2(3) . .
N1 C1 C2 117.7(3) . .
O1 C1 C2 115.1(3) . .
C7 C2 C3 117.3(4) . .
C7 C2 C1 122.4(4) . .
C3 C2 C1 120.4(3) . .
C2 C3 C4 120.8(4) . .
C2 C3 H3 119.6 . .
C4 C3 H3 119.6 . .
C5 C4 C3 122.1(4) . .
C5 C4 H4 118.9 . .
C3 C4 H4 118.9 . .
C4 C5 C6 116.8(4) . .
C4 C5 C8 122.9(4) . .
C6 C5 C8 120.3(4) . .
C5 C6 C7 122.6(4) . .
C5 C6 H6 118.7 . .
C7 C6 H6 118.7 . .
C2 C7 C6 120.4(4) . .
C2 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
C10 C8 C9A 79.8(8) . .
C10 C8 C11A 120.4(9) . .
C9A C8 C11A 109.0(8) . .
C10 C8 C5 112.7(6) . .
C9A C8 C5 109.0(7) . .
C11A C8 C5 118.4(8) . .
C10 C8 C9 114.6(8) . .
C9A C8 C9 38.5(7) . .
C11A C8 C9 77.2(8) . .
C5 C8 C9 107.6(6) . .
C10 C8 C10A 28.3(7) . .
C9A C8 C10A 107.3(8) . .
C11A C8 C10A 104.1(9) . .
C5 C8 C10A 108.6(5) . .
C9 C8 C10A 137.5(8) . .
C10 C8 C11 110.8(8) . .
C9A C8 C11 136.0(7) . .
C11A C8 C11 28.1(7) . .
C5 C8 C11 105.6(7) . .
C9 C8 C11 105.0(7) . .
C10A C8 C11 86.1(7) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
C8 C9A H9A1 109.5 . .
C8 C9A H9A2 109.5 . .
H9A1 C9A H9A2 109.5 . .
C8 C9A H9A3 109.5 . .
H9A1 C9A H9A3 109.5 . .
H9A2 C9A H9A3 109.5 . .
C8 C10A H10D 109.5 . .
C8 C10A H10E 109.5 . .
H10D C10A H10E 109.5 . .
C8 C10A H10F 109.5 . .
H10D C10A H10F 109.5 . .
H10E C10A H10F 109.5 . .
C8 C11A H11D 109.5 . .
C8 C11A H11E 109.5 . .
H11D C11A H11E 109.5 . .
C8 C11A H11F 109.5 . .
H11D C11A H11F 109.5 . .
H11E C11A H11F 109.5 . .
N1 C12 C13 109.0(3) . .
N1 C12 C17 110.2(3) . .
C13 C12 C17 110.6(3) . .
N1 C12 H12 109.0 . .
C13 C12 H12 109.0 . .
C17 C12 H12 109.0 . .
C14 C13 C12 113.1(3) . .
C14 C13 H13A 109.0 . .
C12 C13 H13A 109.0 . .
C14 C13 H13B 109.0 . .
C12 C13 H13B 109.0 . .
H13A C13 H13B 107.8 . .
C13 C14 C15 111.1(3) . .
C13 C14 H14A 109.4 . .
C15 C14 H14A 109.4 . .
C13 C14 H14B 109.4 . .
C15 C14 H14B 109.4 . .
H14A C14 H14B 108.0 . .
C14 C15 C16 110.1(4) . .
C14 C15 H15A 109.6 . .
C16 C15 H15A 109.6 . .
C14 C15 H15B 109.6 . .
C16 C15 H15B 109.6 . .
H15A C15 H15B 108.2 . .
C17 C16 C15 111.9(3) . .
C17 C16 H16A 109.2 . .
C15 C16 H16A 109.2 . .
C17 C16 H16B 109.2 . .
C15 C16 H16B 109.2 . .
H16A C16 H16B 107.9 . .
N2 C17 C16 110.1(3) . .
N2 C17 C12 107.5(3) . .
C16 C17 C12 111.6(3) . .
N2 C17 H17 109.2 . .
C16 C17 H17 109.2 . .
C12 C17 H17 109.2 . .
N2 C18 O2 116.8(2) . .
N2 C18 C19 125.9(3) . .
O2 C18 C19 117.2(3) . .
N2 C18 La1 57.60(15) . .
O2 C18 La1 60.79(13) . .
C19 C18 La1 166.4(2) . .
C20 C19 C24 117.8(3) . .
C20 C19 C18 120.6(3) . .
C24 C19 C18 121.6(3) . .
C19 C20 C21 120.7(4) . .
C19 C20 H20 119.7 . .
C21 C20 H20 119.7 . .
C22 C21 C20 122.0(4) . .
C22 C21 H21 119.0 . .
C20 C21 H21 119.0 . .
C23 C22 C21 116.4(3) . .
C23 C22 C25 121.6(4) . .
C21 C22 C25 122.0(3) . .
C22 C23 C24 122.6(4) . .
C22 C23 H23 118.7 . .
C24 C23 H23 118.7 . .
C23 C24 C19 120.5(3) . .
C23 C24 H24 119.7 . .
C19 C24 H24 119.7 . .
C27 C25 C26 110.3(5) . .
C27 C25 C28 108.5(5) . .
C26 C25 C28 109.1(5) . .
C27 C25 C22 110.9(4) . .
C26 C25 C22 107.2(4) . .
C28 C25 C22 110.9(4) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
Si1 C29 H29A 109.5 . .
Si1 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
Si1 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
Si1 C30 H30A 109.5 . .
Si1 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
Si1 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
Si1 C31 H31A 109.5 . .
Si1 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
Si1 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
Si2 C32 H32A 109.5 . .
Si2 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
Si2 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
Si2 C33 H33A 109.5 . .
Si2 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
Si2 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
Si2 C34 H34A 109.5 . .
Si2 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
Si2 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
O3 C35 C36A 110.3(6) . .
O3 C35 C36 102.9(6) . .
C36A C35 C36 33.5(8) . .
O3 C35 H35A 111.2 . .
C36A C35 H35A 131.0 . .
C36 C35 H35A 111.2 . .
O3 C35 H35B 111.2 . .
C36A C35 H35B 78.3 . .
C36 C35 H35B 111.2 . .
H35A C35 H35B 109.1 . .
C37 C36 C35 106.6(10) . .
C37 C36 H36A 110.4 . .
C35 C36 H36A 110.4 . .
C37 C36 H36B 110.4 . .
C35 C36 H36B 110.4 . .
H36A C36 H36B 108.6 . .
C38 C37 C36 102.2(11) . .
C38 C37 H37A 111.3 . .
C36 C37 H37A 111.3 . .
C38 C37 H37B 111.3 . .
C36 C37 H37B 111.3 . .
H37A C37 H37B 109.2 . .
C37A C36A C35 105.4(12) . .
C37A C36A H36C 110.7 . .
C35 C36A H36C 110.7 . .
C37A C36A H36D 110.7 . .
C35 C36A H36D 110.7 . .
H36C C36A H36D 108.8 . .
C36A C37A C38 114.2(13) . .
C36A C37A H37C 108.7 . .
C38 C37A H37C 108.7 . .
C36A C37A H37D 108.7 . .
C38 C37A H37D 108.7 . .
H37C C37A H37D 107.6 . .
C37 C38 O3 114.4(7) . .
C37 C38 C37A 28.5(8) . .
O3 C38 C37A 88.7(6) . .
C37 C38 H38A 108.7 . .
O3 C38 H38A 108.7 . .
C37A C38 H38A 131.9 . .
C37 C38 H38B 108.7 . .
O3 C38 H38B 108.7 . .
C37A C38 H38B 108.4 . .
H38A C38 H38B 107.6 . .
C42 O4 C39 122.2(15) . .
O4 C39 C40 100.9(13) . .
C41 C40 C39 102.7(14) . .
C40 C41 C42 113.7(15) . .
O4 C42 C41 95.1(13) . .
C39A O4A C42A 111.4(14) . .
O4A C39A C40A 110.6(13) . .
C41A C40A C39A 101.6(14) . .
C40A C41A C42A 108.0(14) . .
O4A C42A C41A 102.5(14) . .
C46 O5 C43 114.1(13) . .
O5 C43 C44 104.7(12) . .
C43 C44 C45 105.8(12) . .
C46 C45 C44 106.4(12) . .
O5 C46 C45 107.3(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O1 2.275(2) .
La1 N3 2.398(3) .
La1 O2 2.443(2) 2_766
La1 O3 2.586(3) .
La1 N2 2.593(2) .
La1 O2 2.661(2) .
La1 C18 3.044(3) .
La1 Si1 3.3966(13) .
Si1 N3 1.702(3) .
Si1 C31 1.867(5) .
Si1 C29 1.884(4) .
Si1 C30 1.895(6) .
Si2 N3 1.704(3) .
Si2 C34 1.829(6) .
Si2 C33 1.866(5) .
Si2 C32 1.879(6) .
O1 C1 1.326(4) .
O2 C18 1.324(4) .
O2 La1 2.443(2) 2_766
O3 C38 1.426(7) .
O3 C35 1.436(5) .
N1 C1 1.284(5) .
N1 C12 1.455(5) .
N2 C18 1.286(4) .
N2 C17 1.454(4) .
C1 C2 1.496(5) .
C2 C7 1.372(5) .
C2 C3 1.386(6) .
C3 C4 1.393(6) .
C3 H3 0.9400 .
C4 C5 1.352(5) .
C4 H4 0.9400 .
C5 C6 1.370(7) .
C5 C8 1.546(7) .
C6 C7 1.389(6) .
C6 H6 0.9400 .
C7 H7 0.9400 .
C8 C10 1.494(11) .
C8 C9A 1.524(12) .
C8 C11A 1.530(12) .
C8 C9 1.569(10) .
C8 C10A 1.582(10) .
C8 C11 1.626(12) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 H9C 0.9700 .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C10 H10C 0.9700 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C11 H11C 0.9700 .
C9A H9A1 0.9700 .
C9A H9A2 0.9700 .
C9A H9A3 0.9700 .
C10A H10D 0.9700 .
C10A H10E 0.9700 .
C10A H10F 0.9700 .
C11A H11D 0.9700 .
C11A H11E 0.9700 .
C11A H11F 0.9700 .
C12 C13 1.528(5) .
C12 C17 1.538(5) .
C12 H12 0.9900 .
C13 C14 1.510(6) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C14 C15 1.512(7) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C15 C16 1.529(5) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C16 C17 1.508(5) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C17 H17 0.9900 .
C18 C19 1.490(4) .
C19 C20 1.382(5) .
C19 C24 1.388(5) .
C20 C21 1.390(4) .
C20 H20 0.9400 .
C21 C22 1.386(5) .
C21 H21 0.9400 .
C22 C23 1.376(5) .
C22 C25 1.542(4) .
C23 C24 1.383(4) .
C23 H23 0.9400 .
C24 H24 0.9400 .
C25 C27 1.513(7) .
C25 C26 1.534(8) .
C25 C28 1.537(7) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C26 H26C 0.9700 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C27 H27C 0.9700 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C28 H28C 0.9700 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 H29C 0.9700 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 H30C 0.9700 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C31 H31C 0.9700 .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C32 H32C 0.9700 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C33 H33C 0.9700 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C34 H34C 0.9700 .
C35 C36A 1.491(15) .
C35 C36 1.590(16) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C36 C37 1.510(18) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C37 C38 1.377(14) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C36A C37A 1.131(17) .
C36A H36C 0.9800 .
C36A H36D 0.9800 .
C37A C38 1.882(14) .
C37A H37C 0.9800 .
C37A H37D 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
O4 C42 1.402(15) .
O4 C39 1.430(13) .
C39 C40 1.577(17) .
C40 C41 1.489(15) .
C41 C42 1.542(16) .
O4A C39A 1.394(15) .
O4A C42A 1.455(15) .
C39A C40A 1.542(17) .
C40A C41A 1.536(15) .
C41A C42A 1.558(17) .
O5 C46 1.436(16) .
O5 C43 1.485(16) .
C43 C44 1.561(16) .
C44 C45 1.589(16) .
C45 C46 1.533(16) .
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
O1 La1 Si1 N3 -31.72(18) . .
O2 La1 Si1 N3 141.59(16) 2_766 .
O3 La1 Si1 N3 60.21(17) . .
N2 La1 Si1 N3 -101.71(16) . .
O2 La1 Si1 N3 -150.09(16) . .
C18 La1 Si1 N3 -123.65(16) . .
O1 La1 Si1 C31 -122.4(3) . .
N3 La1 Si1 C31 -90.7(3) . .
O2 La1 Si1 C31 50.9(3) 2_766 .
O3 La1 Si1 C31 -30.5(3) . .
N2 La1 Si1 C31 167.6(3) . .
O2 La1 Si1 C31 119.2(2) . .
C18 La1 Si1 C31 145.6(3) . .
O1 La1 Si1 C29 141.72(19) . .
N3 La1 Si1 C29 173.4(2) . .
O2 La1 Si1 C29 -44.96(17) 2_766 .
O3 La1 Si1 C29 -126.34(18) . .
N2 La1 Si1 C29 71.73(17) . .
O2 La1 Si1 C29 23.35(17) . .
C18 La1 Si1 C29 49.79(18) . .
O1 La1 Si1 C30 51.2(3) . .
N3 La1 Si1 C30 82.9(3) . .
O2 La1 Si1 C30 -135.5(3) 2_766 .
O3 La1 Si1 C30 143.2(3) . .
N2 La1 Si1 C30 -18.8(3) . .
O2 La1 Si1 C30 -67.1(3) . .
C18 La1 Si1 C30 -40.7(3) . .
N3 La1 O1 C1 -108.3(3) . .
O2 La1 O1 C1 95.2(3) 2_766 .
O3 La1 O1 C1 166.9(3) . .
N2 La1 O1 C1 -17.2(3) . .
O2 La1 O1 C1 30.7(3) . .
C18 La1 O1 C1 7.8(3) . .
Si1 La1 O1 C1 -92.2(3) . .
O1 La1 O2 C18 -62.0(2) . .
N3 La1 O2 C18 67.1(2) . .
O2 La1 O2 C18 178.7(3) 2_766 .
O3 La1 O2 C18 -139.2(2) . .
N2 La1 O2 C18 7.99(18) . .
Si1 La1 O2 C18 85.11(19) . .
O1 La1 O2 La1 119.24(11) . 2_766
N3 La1 O2 La1 -111.60(13) . 2_766
O2 La1 O2 La1 0.0 2_766 2_766
O3 La1 O2 La1 42.08(17) . 2_766
N2 La1 O2 La1 -170.72(16) . 2_766
C18 La1 O2 La1 -178.7(3) . 2_766
Si1 La1 O2 La1 -93.61(10) . 2_766
O1 La1 O3 C38 -40.8(4) . .
N3 La1 O3 C38 -158.0(4) . .
O2 La1 O3 C38 80.3(4) 2_766 .
N2 La1 O3 C38 -50.3(5) . .
O2 La1 O3 C38 41.6(5) . .
C18 La1 O3 C38 5.7(5) . .
Si1 La1 O3 C38 178.0(4) . .
O1 La1 O3 C35 139.7(4) . .
N3 La1 O3 C35 22.5(4) . .
O2 La1 O3 C35 -99.2(4) 2_766 .
N2 La1 O3 C35 130.2(4) . .
O2 La1 O3 C35 -137.9(4) . .
C18 La1 O3 C35 -173.8(4) . .
Si1 La1 O3 C35 -1.5(4) . .
O1 La1 N2 C18 96.7(2) . .
N3 La1 N2 C18 -147.4(2) . .
O2 La1 N2 C18 -17.7(2) 2_766 .
O3 La1 N2 C18 106.3(3) . .
O2 La1 N2 C18 -8.29(19) . .
Si1 La1 N2 C18 -119.9(2) . .
O1 La1 N2 C17 -53.7(3) . .
N3 La1 N2 C17 62.2(3) . .
O2 La1 N2 C17 -168.1(3) 2_766 .
O3 La1 N2 C17 -44.1(4) . .
O2 La1 N2 C17 -158.6(3) . .
C18 La1 N2 C17 -150.3(4) . .
Si1 La1 N2 C17 89.8(3) . .
C31 Si1 N3 Si2 -69.2(3) . .
C29 Si1 N3 Si2 171.9(2) . .
C30 Si1 N3 Si2 55.4(3) . .
La1 Si1 N3 Si2 178.2(3) . .
C31 Si1 N3 La1 112.5(2) . .
C29 Si1 N3 La1 -6.4(2) . .
C30 Si1 N3 La1 -122.8(2) . .
C34 Si2 N3 Si1 -178.8(2) . .
C33 Si2 N3 Si1 60.5(3) . .
C32 Si2 N3 Si1 -60.4(3) . .
C34 Si2 N3 La1 -0.8(3) . .
C33 Si2 N3 La1 -121.5(3) . .
C32 Si2 N3 La1 117.6(2) . .
O1 La1 N3 Si1 158.74(13) . .
O2 La1 N3 Si1 -45.59(18) 2_766 .
O3 La1 N3 Si1 -123.06(16) . .
N2 La1 N3 Si1 80.45(15) . .
O2 La1 N3 Si1 38.93(19) . .
C18 La1 N3 Si1 65.73(17) . .
O1 La1 N3 Si2 -19.5(2) . .
O2 La1 N3 Si2 136.17(16) 2_766 .
O3 La1 N3 Si2 58.71(19) . .
N2 La1 N3 Si2 -97.79(18) . .
O2 La1 N3 Si2 -139.31(15) . .
C18 La1 N3 Si2 -112.51(18) . .
Si1 La1 N3 Si2 -178.2(3) . .
C12 N1 C1 O1 0.9(5) . .
C12 N1 C1 C2 -179.1(3) . .
La1 O1 C1 N1 59.7(5) . .
La1 O1 C1 C2 -120.3(3) . .
N1 C1 C2 C7 -25.9(6) . .
O1 C1 C2 C7 154.1(4) . .
N1 C1 C2 C3 155.0(4) . .
O1 C1 C2 C3 -25.0(5) . .
C7 C2 C3 C4 2.5(7) . .
C1 C2 C3 C4 -178.4(4) . .
C2 C3 C4 C5 -1.2(8) . .
C3 C4 C5 C6 -1.8(8) . .
C3 C4 C5 C8 -179.2(5) . .
C4 C5 C6 C7 3.6(8) . .
C8 C5 C6 C7 -178.9(5) . .
C3 C2 C7 C6 -0.7(7) . .
C1 C2 C7 C6 -179.8(4) . .
C5 C6 C7 C2 -2.4(8) . .
C4 C5 C8 C10 5.5(9) . .
C6 C5 C8 C10 -171.8(7) . .
C4 C5 C8 C9A 92.1(7) . .
C6 C5 C8 C9A -85.3(8) . .
C4 C5 C8 C11A -142.7(9) . .
C6 C5 C8 C11A 40.0(10) . .
C4 C5 C8 C9 132.7(7) . .
C6 C5 C8 C9 -44.6(8) . .
C4 C5 C8 C10A -24.4(8) . .
C6 C5 C8 C10A 158.2(7) . .
C4 C5 C8 C11 -115.6(7) . .
C6 C5 C8 C11 67.1(7) . .
C1 N1 C12 C13 143.0(3) . .
C1 N1 C12 C17 -95.4(4) . .
N1 C12 C13 C14 173.9(3) . .
C17 C12 C13 C14 52.6(4) . .
C12 C13 C14 C15 -55.5(4) . .
C13 C14 C15 C16 56.5(4) . .
C14 C15 C16 C17 -57.3(4) . .
C18 N2 C17 C16 123.9(3) . .
La1 N2 C17 C16 -91.8(3) . .
C18 N2 C17 C12 -114.3(3) . .
La1 N2 C17 C12 29.9(4) . .
C15 C16 C17 N2 174.7(3) . .
C15 C16 C17 C12 55.5(4) . .
N1 C12 C17 N2 66.4(3) . .
C13 C12 C17 N2 -173.0(2) . .
N1 C12 C17 C16 -172.8(2) . .
C13 C12 C17 C16 -52.1(3) . .
C17 N2 C18 O2 168.7(3) . .
La1 N2 C18 O2 14.4(3) . .
C17 N2 C18 C19 -9.8(6) . .
La1 N2 C18 C19 -164.1(3) . .
C17 N2 C18 La1 154.3(4) . .
La1 O2 C18 N2 163.5(3) 2_766 .
La1 O2 C18 N2 -13.9(3) . .
La1 O2 C18 C19 -17.9(7) 2_766 .
La1 O2 C18 C19 164.7(3) . .
La1 O2 C18 La1 177.4(5) 2_766 .
O1 La1 C18 N2 -78.3(2) . .
N3 La1 C18 N2 37.0(2) . .
O2 La1 C18 N2 164.1(2) 2_766 .
O3 La1 C18 N2 -124.6(3) . .
O2 La1 C18 N2 165.3(3) . .
Si1 La1 C18 N2 63.1(2) . .
O1 La1 C18 O2 116.5(2) . .
N3 La1 C18 O2 -128.23(19) . .
O2 La1 C18 O2 -1.2(2) 2_766 .
O3 La1 C18 O2 70.1(3) . .
N2 La1 C18 O2 -165.3(3) . .
Si1 La1 C18 O2 -102.14(19) . .
O1 La1 C18 C19 31.1(9) . .
N3 La1 C18 C19 146.4(9) . .
O2 La1 C18 C19 -86.5(10) 2_766 .
O3 La1 C18 C19 -15.2(11) . .
N2 La1 C18 C19 109.4(10) . .
O2 La1 C18 C19 -85.4(10) . .
Si1 La1 C18 C19 172.5(9) . .
N2 C18 C19 C20 121.0(4) . .
O2 C18 C19 C20 -57.5(5) . .
La1 C18 C19 C20 20.6(11) . .
N2 C18 C19 C24 -58.0(5) . .
O2 C18 C19 C24 123.5(4) . .
La1 C18 C19 C24 -158.4(8) . .
C24 C19 C20 C21 -0.4(6) . .
C18 C19 C20 C21 -179.5(4) . .
C19 C20 C21 C22 -0.4(6) . .
C20 C21 C22 C23 0.2(6) . .
C20 C21 C22 C25 -178.8(4) . .
C21 C22 C23 C24 0.6(6) . .
C25 C22 C23 C24 179.7(4) . .
C22 C23 C24 C19 -1.4(6) . .
C20 C19 C24 C23 1.3(6) . .
C18 C19 C24 C23 -179.7(3) . .
C23 C22 C25 C27 36.3(6) . .
C21 C22 C25 C27 -144.7(5) . .
C23 C22 C25 C26 -84.2(6) . .
C21 C22 C25 C26 94.9(5) . .
C23 C22 C25 C28 156.8(4) . .
C21 C22 C25 C28 -24.1(6) . .
C38 O3 C35 C36A 38.1(9) . .
La1 O3 C35 C36A -142.4(7) . .
C38 O3 C35 C36 4.0(8) . .
La1 O3 C35 C36 -176.5(7) . .
O3 C35 C36 C37 10.2(12) . .
C36A C35 C36 C37 -97.1(17) . .
C35 C36 C37 C38 -20.5(14) . .
O3 C35 C36A C37A -18.0(16) . .
C36 C35 C36A C37A 64.7(15) . .
C35 C36A C37A C38 -4.5(18) . .
C36 C37 C38 O3 24.8(14) . .
C36 C37 C38 C37A 52.1(14) . .
C35 O3 C38 C37 -19.3(10) . .
La1 O3 C38 C37 161.1(8) . .
C35 O3 C38 C37A -31.9(7) . .
La1 O3 C38 C37A 148.5(5) . .
C36A C37A C38 C37 -131(3) . .
C36A C37A C38 O3 24.5(15) . .
C42 O4 C39 C40 -18(3) . .
O4 C39 C40 C41 1(2) . .
C39 C40 C41 C42 13(3) . .
C39 O4 C42 C41 24(2) . .
C40 C41 C42 O4 -21(2) . .
C42A O4A C39A C40A 17(2) . .
O4A C39A C40A C41A -1(2) . .
C39A C40A C41A C42A -13(2) . .
C39A O4A C42A C41A -24(2) . .
C40A C41A C42A O4A 23(2) . .
C46 O5 C43 C44 14.0(18) . .
O5 C43 C44 C45 -11.4(16) . .
C43 C44 C45 C46 5.8(17) . .
C43 O5 C46 C45 -10.5(18) . .
C44 C45 C46 O5 2.3(17) . .
