#------------------------------------------------------------------------------
#$Date: 2017-10-27 05:17:03 +0300 (Fri, 27 Oct 2017) $
#$Revision: 202370 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/45/7044564.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_7044564
loop_
_publ_author_name
'Ouyang, Hao'
'Nie, Kun'
'Yuan, Dan'
'Yao, Yingming'
_publ_section_title
;
 Synthesis of amine-bridged bis(phenolate) rare-earth metal aryloxides and
 their catalytic performances for the ring-opening polymerization of
 L-lactic acid O-carboxyanhydride and L-lactide
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT03001K
_journal_year                    2017
_chemical_formula_moiety         'C66 H90 La2 N4 O8, 2(C4 H8 O)'
_chemical_formula_sum            'C74 H106 La2 N4 O10'
_chemical_formula_weight         1489.44
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2017-10-03 deposited with the CCDC.
2017-10-26 downloaded from the CCDC.
;
_cell_angle_alpha                114.347(4)
_cell_angle_beta                 109.435(5)
_cell_angle_gamma                95.310(4)
_cell_formula_units_Z            1
_cell_length_a                   12.4210(6)
_cell_length_b                   12.9473(5)
_cell_length_c                   13.3644(7)
_cell_measurement_reflns_used    8268
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.4340
_cell_measurement_theta_min      3.6600
_cell_volume                     1779.30(18)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'SHELXTL Ver. 6.10, (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL Ver. 6.10, (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4471
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_unetI/netI     0.0449
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17526
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.369
_diffrn_reflns_theta_min         3.053
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.243
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81147
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark colourless'
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_description       plate
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.6000
_exptl_crystal_size_mid          0.4000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         1.573
_refine_diff_density_min         -1.712
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         7289
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0368
_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)+(0.0396P)²+2.3244P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0923
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6495
_reflns_number_total             7289
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt03001k2.cif
_cod_data_source_block           complex1
_cod_original_cell_volume        1779.31(16)
_cod_database_code               7044564
_shelx_shelxl_version_number     2017/1
_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.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
La1 La 0.13861(2) 0.53582(2) 0.45978(2) 0.02455(7) Uani 1 1 d . .
O1 O 0.0628(2) 0.58207(19) 0.61759(19) 0.0279(5) Uani 1 1 d . .
O2 O 0.1094(2) 0.5838(2) 0.3058(2) 0.0348(6) Uani 1 1 d . .
O3 O 0.2590(2) 0.4483(2) 0.5508(2) 0.0408(6) Uani 1 1 d . .
O4 O 0.1448(3) 0.3449(2) 0.2790(2) 0.0458(7) Uani 1 1 d D .
O5 O 0.3365(5) 0.1638(4) 0.8960(5) 0.1090(10) Uani 1 1 d D .
N1 N 0.1279(3) 0.7741(2) 0.5444(2) 0.0276(6) Uani 1 1 d . .
N2 N 0.3496(3) 0.7011(3) 0.5648(3) 0.0324(7) Uani 1 1 d . .
C1 C 0.1373(3) 0.6739(3) 0.7260(3) 0.0258(7) Uani 1 1 d . .
C2 C 0.2038(3) 0.6555(3) 0.8218(3) 0.0284(7) Uani 1 1 d . .
C3 C 0.2776(3) 0.7527(3) 0.9304(3) 0.0359(8) Uani 1 1 d . .
H3 H 0.321695 0.740353 0.993969 0.043 Uiso 1 1 calc R U
C4 C 0.2885(4) 0.8670(3) 0.9486(3) 0.0413(9) Uani 1 1 d . .
C5 C 0.2213(4) 0.8837(3) 0.8532(3) 0.0383(9) Uani 1 1 d . .
H5 H 0.226170 0.959840 0.863829 0.046 Uiso 1 1 calc R U
C6 C 0.1465(3) 0.7890(3) 0.7416(3) 0.0299(7) Uani 1 1 d . .
C7 C 0.0771(3) 0.8065(3) 0.6365(3) 0.0323(8) Uani 1 1 d . .
H7A H -0.004068 0.758985 0.599210 0.039 Uiso 1 1 calc R U
H7B H 0.075845 0.888318 0.665357 0.039 Uiso 1 1 calc R U
C8 C 0.1951(4) 0.5330(3) 0.8067(3) 0.0367(8) Uani 1 1 d . .
H8A H 0.255546 0.535448 0.875408 0.055 Uiso 1 1 calc R U
H8B H 0.205525 0.484795 0.735367 0.055 Uiso 1 1 calc R U
H8C H 0.118598 0.500562 0.799603 0.055 Uiso 1 1 calc R U
C9 C 0.3724(5) 0.9706(4) 1.0675(4) 0.0636(15) Uani 1 1 d . .
H9A H 0.346540 0.975970 1.129239 0.095 Uiso 1 1 calc R U
H9B H 0.373190 1.041659 1.060872 0.095 Uiso 1 1 calc R U
H9C H 0.450808 0.959757 1.087894 0.095 Uiso 1 1 calc R U
C10 C 0.1069(3) 0.6704(3) 0.2764(3) 0.0316(8) Uani 1 1 d . .
C11 C 0.1346(3) 0.6632(3) 0.1799(3) 0.0366(8) Uani 1 1 d . .
C12 C 0.1374(4) 0.7585(4) 0.1569(3) 0.0434(10) Uani 1 1 d . .
H12 H 0.155820 0.753054 0.093160 0.052 Uiso 1 1 calc R U
C13 C 0.1143(4) 0.8609(4) 0.2241(4) 0.0446(10) Uani 1 1 d . .
C14 C 0.0843(4) 0.8652(3) 0.3160(3) 0.0395(9) Uani 1 1 d . .
H14 H 0.067223 0.932712 0.361949 0.047 Uiso 1 1 calc R U
C15 C 0.0787(3) 0.7719(3) 0.3424(3) 0.0335(8) Uani 1 1 d . .
C16 C 0.0390(3) 0.7780(3) 0.4389(3) 0.0335(8) Uani 1 1 d . .
H16A H 0.015211 0.850135 0.468558 0.040 Uiso 1 1 calc R U
H16B H -0.030684 0.712967 0.402543 0.040 Uiso 1 1 calc R U
C17 C 0.1630(4) 0.5546(4) 0.1065(4) 0.0496(11) Uani 1 1 d . .
H17A H 0.190648 0.567525 0.052408 0.074 Uiso 1 1 calc R U
H17B H 0.093080 0.489797 0.061033 0.074 Uiso 1 1 calc R U
H17C H 0.223513 0.537044 0.158988 0.074 Uiso 1 1 calc R U
C18 C 0.1234(5) 0.9654(4) 0.1997(4) 0.0667(15) Uani 1 1 d . .
H18A H 0.196545 1.023831 0.258045 0.100 Uiso 1 1 calc R U
H18B H 0.058152 0.998371 0.205095 0.100 Uiso 1 1 calc R U
H18C H 0.121141 0.939904 0.120443 0.100 Uiso 1 1 calc R U
C19 C 0.2440(3) 0.8583(3) 0.5929(3) 0.0336(8) Uani 1 1 d . .
H19A H 0.278829 0.892534 0.679906 0.040 Uiso 1 1 calc R U
H19B H 0.231591 0.921496 0.572893 0.040 Uiso 1 1 calc R U
C20 C 0.3301(3) 0.8030(3) 0.5452(3) 0.0352(8) Uani 1 1 d . .
H20A H 0.300179 0.778075 0.459649 0.042 Uiso 1 1 calc R U
H20B H 0.405348 0.861692 0.584263 0.042 Uiso 1 1 calc R U
C21 C 0.4172(4) 0.7386(4) 0.6939(4) 0.0447(10) Uani 1 1 d . .
H21A H 0.431127 0.671176 0.704117 0.067 Uiso 1 1 calc R U
H21B H 0.372665 0.775605 0.738365 0.067 Uiso 1 1 calc R U
H21C H 0.491615 0.793384 0.722926 0.067 Uiso 1 1 calc R U
C22 C 0.4161(4) 0.6407(4) 0.4973(4) 0.0497(11) Uani 1 1 d . .
H22A H 0.372043 0.614740 0.413127 0.075 Uiso 1 1 calc R U
H22B H 0.428709 0.573924 0.509421 0.075 Uiso 1 1 calc R U
H22C H 0.491220 0.693744 0.524916 0.075 Uiso 1 1 calc R U
C23 C 0.3175(3) 0.3781(3) 0.5825(3) 0.0326(8) Uani 1 1 d . .
C24 C 0.4213(4) 0.4224(3) 0.6865(3) 0.0398(9) Uani 1 1 d . .
H24 H 0.449682 0.503298 0.736511 0.048 Uiso 1 1 calc R U
C25 C 0.4832(4) 0.3489(4) 0.7172(4) 0.0433(10) Uani 1 1 d . .
H25 H 0.552393 0.381541 0.787271 0.052 Uiso 1 1 calc R U
C26 C 0.4448(4) 0.2277(4) 0.6462(4) 0.0448(10) Uani 1 1 d . .
C27 C 0.3403(4) 0.1832(4) 0.5452(4) 0.0492(11) Uani 1 1 d . .
H27 H 0.310936 0.102169 0.496889 0.059 Uiso 1 1 calc R U
C28 C 0.2778(4) 0.2559(3) 0.5137(4) 0.0437(10) Uani 1 1 d . .
H28 H 0.207452 0.222416 0.444851 0.052 Uiso 1 1 calc R U
C29 C 0.5155(5) 0.1481(5) 0.6783(5) 0.0708(15) Uani 1 1 d . .
H29A H 0.473544 0.104273 0.703201 0.106 Uiso 1 1 calc R U
H29B H 0.591426 0.194976 0.742730 0.106 Uiso 1 1 calc R U
H29C H 0.526384 0.094699 0.609255 0.106 Uiso 1 1 calc R U
C30 C 0.2555(5) 0.3224(6) 0.2851(4) 0.0848(10) Uani 1 1 d D .
H30A H 0.317968 0.395038 0.339213 0.102 Uiso 1 1 calc R U
H30B H 0.269888 0.267633 0.317139 0.102 Uiso 1 1 calc R U
C31 C 0.2583(5) 0.2755(6) 0.1720(4) 0.0848(10) Uani 1 1 d D .
H31A H 0.292224 0.208979 0.158452 0.102 Uiso 1 1 calc R U
H31B H 0.305896 0.334298 0.165586 0.102 Uiso 1 1 calc R U
C32 C 0.1336(4) 0.2373(6) 0.0821(4) 0.0848(10) Uani 1 1 d D .
H32A H 0.104383 0.152183 0.040537 0.102 Uiso 1 1 calc R U
H32B H 0.127757 0.264244 0.023180 0.102 Uiso 1 1 calc R U
C33 C 0.0640(5) 0.2925(6) 0.1536(4) 0.0848(10) Uani 1 1 d D .
H33A H 0.035273 0.352046 0.134384 0.102 Uiso 1 1 calc R U
H33B H -0.003290 0.233407 0.135853 0.102 Uiso 1 1 calc R U
C34 C 0.4190(7) 0.2746(6) 0.9626(7) 0.1090(10) Uani 1 1 d D .
H34A H 0.477258 0.276537 0.929352 0.131 Uiso 1 1 calc R U
H34B H 0.459880 0.291987 1.045788 0.131 Uiso 1 1 calc R U
C35 C 0.3523(7) 0.3595(6) 0.9549(7) 0.1090(10) Uani 1 1 d D .
H35A H 0.398232 0.423486 0.953694 0.131 Uiso 1 1 calc R U
H35B H 0.329992 0.391692 1.022307 0.131 Uiso 1 1 calc R U
C36 C 0.2455(7) 0.2904(6) 0.8392(7) 0.1090(10) Uani 1 1 d D .
H36A H 0.175170 0.311999 0.847851 0.131 Uiso 1 1 calc R U
H36B H 0.255009 0.303270 0.775763 0.131 Uiso 1 1 calc R U
C37 C 0.2373(7) 0.1675(6) 0.8128(7) 0.1090(10) Uani 1 1 d D .
H37A H 0.166564 0.134736 0.817081 0.131 Uiso 1 1 calc R U
H37B H 0.232695 0.121433 0.732260 0.131 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'
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'
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
O3 La1 O2 138.69(10) . .
O3 La1 O1 105.72(9) . 2_566
O2 La1 O1 97.01(8) . 2_566
O3 La1 O1 86.79(9) . .
O2 La1 O1 134.17(9) . .
O1 La1 O1 67.67(8) 2_566 .
O3 La1 O4 74.80(9) . .
O2 La1 O4 75.03(9) . .
O1 La1 O4 81.56(8) 2_566 .
O1 La1 O4 138.27(8) . .
O3 La1 N2 80.76(10) . .
O2 La1 N2 82.46(9) . .
O1 La1 N2 169.80(8) 2_566 .
O1 La1 N2 105.42(8) . .
O4 La1 N2 108.00(9) . .
O3 La1 N1 131.12(9) . .
O2 La1 N1 71.20(8) . .
O1 La1 N1 106.15(8) 2_566 .
O1 La1 N1 72.44(8) . .
O4 La1 N1 146.00(8) . .
N2 La1 N1 63.97(9) . .
O3 La1 La1 97.37(7) . 2_566
O2 La1 La1 119.67(7) . 2_566
O1 La1 La1 34.07(5) 2_566 2_566
O1 La1 La1 33.60(5) . 2_566
O4 La1 La1 111.36(6) . 2_566
N2 La1 La1 138.58(6) . 2_566
N1 La1 La1 89.06(6) . 2_566
C1 O1 La1 133.5(2) . 2_566
C1 O1 La1 113.93(19) . .
La1 O1 La1 112.33(8) 2_566 .
C10 O2 La1 145.5(2) . .
C23 O3 La1 168.5(2) . .
C30 O4 C33 108.3(3) . .
C30 O4 La1 119.1(3) . .
C33 O4 La1 125.9(3) . .
C37 O5 C34 109.3(5) . .
C19 N1 C7 110.3(3) . .
C19 N1 C16 111.5(3) . .
C7 N1 C16 105.4(3) . .
C19 N1 La1 113.2(2) . .
C7 N1 La1 110.45(19) . .
C16 N1 La1 105.6(2) . .
C22 N2 C20 109.2(3) . .
C22 N2 C21 109.0(3) . .
C20 N2 C21 111.0(3) . .
C22 N2 La1 103.0(2) . .
C20 N2 La1 109.7(2) . .
C21 N2 La1 114.6(2) . .
O1 C1 C2 121.2(3) . .
O1 C1 C6 119.1(3) . .
C2 C1 C6 119.7(3) . .
C3 C2 C1 118.5(3) . .
C3 C2 C8 121.0(3) . .
C1 C2 C8 120.5(3) . .
C4 C3 C2 123.0(4) . .
C4 C3 H3 118.5 . .
C2 C3 H3 118.5 . .
C3 C4 C5 117.7(3) . .
C3 C4 C9 121.4(4) . .
C5 C4 C9 120.9(4) . .
C4 C5 C6 121.7(3) . .
C4 C5 H5 119.2 . .
C6 C5 H5 119.2 . .
C5 C6 C1 119.3(3) . .
C5 C6 C7 121.8(3) . .
C1 C6 C7 118.8(3) . .
N1 C7 C6 112.4(3) . .
N1 C7 H7A 109.1 . .
C6 C7 H7A 109.1 . .
N1 C7 H7B 109.1 . .
C6 C7 H7B 109.1 . .
H7A C7 H7B 107.9 . .
C2 C8 H8A 109.5 . .
C2 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C2 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C4 C9 H9A 109.5 . .
C4 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C4 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O2 C10 C15 120.5(3) . .
O2 C10 C11 121.1(3) . .
C15 C10 C11 118.5(3) . .
C12 C11 C10 119.0(4) . .
C12 C11 C17 121.5(3) . .
C10 C11 C17 119.5(3) . .
C13 C12 C11 123.1(4) . .
C13 C12 H12 118.4 . .
C11 C12 H12 118.4 . .
C14 C13 C12 117.1(4) . .
C14 C13 C18 121.2(4) . .
C12 C13 C18 121.7(4) . .
C13 C14 C15 122.3(4) . .
C13 C14 H14 118.9 . .
C15 C14 H14 118.9 . .
C14 C15 C10 119.9(3) . .
C14 C15 C16 120.4(3) . .
C10 C15 C16 119.7(3) . .
N1 C16 C15 116.3(3) . .
N1 C16 H16A 108.2 . .
C15 C16 H16A 108.2 . .
N1 C16 H16B 108.2 . .
C15 C16 H16B 108.2 . .
H16A C16 H16B 107.4 . .
C11 C17 H17A 109.5 . .
C11 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C11 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C13 C18 H18A 109.5 . .
C13 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C13 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N1 C19 C20 113.4(3) . .
N1 C19 H19A 108.9 . .
C20 C19 H19A 108.9 . .
N1 C19 H19B 108.9 . .
C20 C19 H19B 108.9 . .
H19A C19 H19B 107.7 . .
N2 C20 C19 113.1(3) . .
N2 C20 H20A 109.0 . .
C19 C20 H20A 109.0 . .
N2 C20 H20B 109.0 . .
C19 C20 H20B 109.0 . .
H20A C20 H20B 107.8 . .
N2 C21 H21A 109.5 . .
N2 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
N2 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N2 C22 H22A 109.5 . .
N2 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
N2 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O3 C23 C24 121.9(3) . .
O3 C23 C28 121.9(3) . .
C24 C23 C28 116.2(3) . .
C25 C24 C23 121.5(4) . .
C25 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
C24 C25 C26 121.7(4) . .
C24 C25 H25 119.2 . .
C26 C25 H25 119.2 . .
C27 C26 C25 117.1(4) . .
C27 C26 C29 121.6(4) . .
C25 C26 C29 121.3(4) . .
C26 C27 C28 121.7(4) . .
C26 C27 H27 119.2 . .
C28 C27 H27 119.2 . .
C27 C28 C23 121.8(4) . .
C27 C28 H28 119.1 . .
C23 C28 H28 119.1 . .
C26 C29 H29A 109.5 . .
C26 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C26 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C31 C30 O4 111.1(4) . .
C31 C30 H30A 109.4 . .
O4 C30 H30A 109.4 . .
C31 C30 H30B 109.4 . .
O4 C30 H30B 109.4 . .
H30A C30 H30B 108.0 . .
C30 C31 C32 106.9(4) . .
C30 C31 H31A 110.3 . .
C32 C31 H31A 110.3 . .
C30 C31 H31B 110.3 . .
C32 C31 H31B 110.3 . .
H31A C31 H31B 108.6 . .
C31 C32 C33 105.4(4) . .
C31 C32 H32A 110.7 . .
C33 C32 H32A 110.7 . .
C31 C32 H32B 110.7 . .
C33 C32 H32B 110.7 . .
H32A C32 H32B 108.8 . .
O4 C33 C32 106.2(4) . .
O4 C33 H33A 110.5 . .
C32 C33 H33A 110.5 . .
O4 C33 H33B 110.5 . .
C32 C33 H33B 110.5 . .
H33A C33 H33B 108.7 . .
O5 C34 C35 106.5(6) . .
O5 C34 H34A 110.4 . .
C35 C34 H34A 110.4 . .
O5 C34 H34B 110.4 . .
C35 C34 H34B 110.4 . .
H34A C34 H34B 108.6 . .
C34 C35 C36 104.2(6) . .
C34 C35 H35A 110.9 . .
C36 C35 H35A 110.9 . .
C34 C35 H35B 110.9 . .
C36 C35 H35B 110.9 . .
H35A C35 H35B 108.9 . .
C37 C36 C35 104.5(6) . .
C37 C36 H36A 110.8 . .
C35 C36 H36A 110.8 . .
C37 C36 H36B 110.8 . .
C35 C36 H36B 110.8 . .
H36A C36 H36B 108.9 . .
O5 C37 C36 108.6(6) . .
O5 C37 H37A 110.0 . .
C36 C37 H37A 110.0 . .
O5 C37 H37B 110.0 . .
C36 C37 H37B 110.0 . .
H37A C37 H37B 108.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O3 2.289(3) .
La1 O2 2.313(2) .
La1 O1 2.435(2) 2_566
La1 O1 2.465(2) .
La1 O4 2.682(3) .
La1 N2 2.730(3) .
La1 N1 2.848(3) .
La1 La1 4.0702(4) 2_566
O1 C1 1.361(4) .
O2 C10 1.331(4) .
O3 C23 1.329(4) .
O4 C30 1.414(6) .
O4 C33 1.447(5) .
O5 C37 1.378(7) .
O5 C34 1.403(7) .
N1 C19 1.481(5) .
N1 C7 1.494(4) .
N1 C16 1.497(4) .
N2 C22 1.464(5) .
N2 C20 1.474(5) .
N2 C21 1.478(5) .
C1 C2 1.401(5) .
C1 C6 1.404(5) .
C2 C3 1.388(5) .
C2 C8 1.502(5) .
C3 C4 1.383(5) .
C3 H3 0.9300 .
C4 C5 1.385(6) .
C4 C9 1.514(5) .
C5 C6 1.397(5) .
C5 H5 0.9300 .
C6 C7 1.504(5) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 C15 1.401(5) .
C10 C11 1.412(5) .
C11 C12 1.388(5) .
C11 C17 1.500(6) .
C12 C13 1.381(6) .
C12 H12 0.9300 .
C13 C14 1.379(6) .
C13 C18 1.520(6) .
C14 C15 1.393(5) .
C14 H14 0.9300 .
C15 C16 1.504(5) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.509(5) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.392(5) .
C23 C28 1.396(5) .
C24 C25 1.384(6) .
C24 H24 0.9300 .
C25 C26 1.386(6) .
C25 H25 0.9300 .
C26 C27 1.376(6) .
C26 C29 1.517(6) .
C27 C28 1.381(6) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 C31 1.391(6) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.489(6) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C33 1.507(6) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.453(9) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.492(9) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 C37 1.465(8) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
