#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:50:40 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185354 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/94/7039437.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_7039437
loop_
_publ_author_name
'Duan, Yu-Lai'
'He, Jia-Xuan'
'Wang, Wei'
'Zhou, Jing-Jing'
'Huang, Yong'
'Yang, Ying'
_publ_section_title
;
 Synthesis and characterization of dinuclear rare-earth complexes
 supported by amine-bridged bis(phenolate) ligands and their catalytic
 activity for the ring-opening polymerization of l-lactide.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10807
_journal_page_last               10820
_journal_paper_doi               10.1039/c6dt01486k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C120 H138 La2 N2 O12, 4(C4 H8 O), C2'
_chemical_formula_sum            'C138 H170 La2 N2 O16'
_chemical_formula_weight         2390.58
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-04-01 deposited with the CCDC.
2016-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 92.0547(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.2283(2)
_cell_length_b                   20.9939(3)
_cell_length_c                   20.9045(3)
_cell_measurement_reflns_used    11391
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.2030
_cell_measurement_theta_min      3.7500
_cell_volume                     6240.32(15)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       '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  0.0320
_diffrn_reflns_av_sigmaI/netI    0.0493
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24320
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.30
_exptl_absorpt_coefficient_mu    0.739
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98578
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2508
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.713
_refine_diff_density_min         -1.206
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         10950
_refine_ls_number_restraints     1568
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0500P)²+25.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1286
_refine_ls_wR_factor_ref         0.1360
_reflns_number_gt                9025
_reflns_number_total             10950
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt01486k1.cif
_cod_data_source_block           hy120
_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 7039431--7039442.cif.
;
_cod_original_cell_volume        6240.30(15)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7039437
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.507494(18) 0.041140(12) 0.373007(12) 0.02188(10) Uani 1 1 d .
O1 O 0.5709(2) 0.01416(15) 0.27770(15) 0.0278(7) Uani 1 1 d .
O2 O 0.3494(2) 0.03440(15) 0.34613(16) 0.0278(7) Uani 1 1 d .
O3 O 0.5641(2) -0.03339(15) 0.45774(16) 0.0312(8) Uani 1 1 d .
O4 O 0.5102(3) -0.10533(15) 0.52582(15) 0.0310(8) Uani 1 1 d .
O5 O 0.6831(3) 0.0726(2) 0.3991(2) 0.0475(10) Uani 1 1 d .
O6 O 0.5018(3) 0.15571(17) 0.33145(18) 0.0416(9) Uani 1 1 d .
O7 O 0.3222(6) -0.0578(5) 0.1253(6) 0.176(4) Uani 1 1 d .
O8 O 0.6057(15) -0.3098(7) 0.4864(15) 0.49(2) Uani 1 1 d .
N1 N 0.4695(3) -0.08267(17) 0.35490(17) 0.0204(8) Uani 1 1 d .
C1 C 0.5758(3) -0.0326(2) 0.2350(2) 0.0240(9) Uani 1 1 d U
C2 C 0.5881(3) -0.0205(2) 0.1688(2) 0.0253(9) Uani 1 1 d U
C3 C 0.5920(3) -0.0721(2) 0.1278(2) 0.0267(9) Uani 1 1 d U
H3 H 0.6017 -0.0643 0.0848 0.032 Uiso 1 1 calc R
C4 C 0.5821(3) -0.1352(2) 0.1473(2) 0.0247(9) Uani 1 1 d U
C5 C 0.5686(3) -0.1460(2) 0.2119(2) 0.0233(9) Uani 1 1 d U
H5 H 0.5612 -0.1876 0.2263 0.028 Uiso 1 1 calc R
C6 C 0.5660(3) -0.0960(2) 0.2556(2) 0.0216(9) Uani 1 1 d U
C7 C 0.5550(3) -0.1104(2) 0.3258(2) 0.0220(9) Uani 1 1 d U
H7A H 0.5533 -0.1563 0.3311 0.026 Uiso 1 1 calc R
H7B H 0.6102 -0.0948 0.3494 0.026 Uiso 1 1 calc R
C8 C 0.3859(3) -0.0931(2) 0.3110(2) 0.0241(9) Uani 1 1 d U
H8A H 0.3815 -0.1381 0.3009 0.029 Uiso 1 1 calc R
H8B H 0.3954 -0.0703 0.2714 0.029 Uiso 1 1 calc R
C9 C 0.2943(3) -0.0718(2) 0.3377(2) 0.0237(9) Uani 1 1 d U
C10 C 0.2227(3) -0.1164(2) 0.3444(2) 0.0264(9) Uani 1 1 d U
H10 H 0.2346 -0.1589 0.3350 0.032 Uiso 1 1 calc R
C11 C 0.1344(3) -0.0994(2) 0.3645(2) 0.0278(9) Uani 1 1 d U
C12 C 0.1204(3) -0.0347(2) 0.3774(2) 0.0294(9) Uani 1 1 d U
H12 H 0.0612 -0.0220 0.3900 0.035 Uiso 1 1 calc R
C13 C 0.1894(3) 0.0117(2) 0.3724(2) 0.0264(9) Uani 1 1 d U
C14 C 0.2797(3) -0.0071(2) 0.3523(2) 0.0253(9) Uani 1 1 d U
C15 C 0.4566(3) -0.1121(2) 0.4177(2) 0.0271(9) Uani 1 1 d U
H15A H 0.4724 -0.1569 0.4152 0.032 Uiso 1 1 calc RD
H15B H 0.3908 -0.1090 0.4281 0.032 Uiso 1 1 calc R
C16 C 0.5160(3) -0.0818(2) 0.4713(2) 0.0269(10) Uani 1 1 d U
C17 C 0.5790(3) -0.1890(2) 0.0975(2) 0.0296(10) Uani 1 1 d U
C18 C 0.4807(4) -0.1884(3) 0.0639(3) 0.0377(12) Uani 1 1 d U
H18A H 0.4696 -0.1475 0.0444 0.057 Uiso 1 1 calc R
H18B H 0.4338 -0.1963 0.0948 0.057 Uiso 1 1 calc R
H18C H 0.4775 -0.2209 0.0316 0.057 Uiso 1 1 calc R
C19 C 0.5931(4) -0.2549(2) 0.1276(3) 0.0400(13) Uani 1 1 d U
H19A H 0.6539 -0.2569 0.1488 0.060 Uiso 1 1 calc R
H19B H 0.5887 -0.2868 0.0947 0.060 Uiso 1 1 calc R
H19C H 0.5453 -0.2623 0.1580 0.060 Uiso 1 1 calc R
C20 C 0.6568(4) -0.1785(3) 0.0495(2) 0.0344(10) Uani 1 1 d U
C21 C 0.6403(4) -0.1659(3) -0.0147(2) 0.0380(11) Uani 1 1 d U
H21 H 0.5785 -0.1626 -0.0303 0.046 Uiso 1 1 calc R
C22 C 0.7125(4) -0.1578(3) -0.0567(3) 0.0481(13) Uani 1 1 d U
H22 H 0.6988 -0.1487 -0.0995 0.058 Uiso 1 1 calc R
C23 C 0.8028(5) -0.1632(4) -0.0354(3) 0.0643(15) Uani 1 1 d U
H23 H 0.8515 -0.1603 -0.0638 0.077 Uiso 1 1 calc R
C24 C 0.8224(5) -0.1733(4) 0.0297(3) 0.0708(16) Uani 1 1 d U
H24 H 0.8844 -0.1743 0.0454 0.085 Uiso 1 1 calc R
C25 C 0.7499(4) -0.1816(3) 0.0708(3) 0.0542(13) Uani 1 1 d U
H25 H 0.7638 -0.1894 0.1139 0.065 Uiso 1 1 calc R
C26 C 0.5943(4) 0.0486(2) 0.1445(2) 0.0286(10) Uani 1 1 d U
C27 C 0.5004(4) 0.0820(3) 0.1563(3) 0.0390(12) Uani 1 1 d U
H27A H 0.4887 0.0814 0.2013 0.058 Uiso 1 1 calc R
H27B H 0.4505 0.0602 0.1333 0.058 Uiso 1 1 calc R
H27C H 0.5034 0.1253 0.1418 0.058 Uiso 1 1 calc R
C28 C 0.6086(4) 0.0516(3) 0.0716(2) 0.0388(12) Uani 1 1 d U
H28A H 0.6669 0.0313 0.0620 0.058 Uiso 1 1 calc R
H28B H 0.6101 0.0953 0.0581 0.058 Uiso 1 1 calc R
H28C H 0.5576 0.0300 0.0494 0.058 Uiso 1 1 calc R
C29 C 0.6792(4) 0.0834(3) 0.1759(2) 0.0344(10) Uani 1 1 d U
C30 C 0.6747(4) 0.1455(3) 0.1985(3) 0.0442(12) Uani 1 1 d U
H30 H 0.6168 0.1661 0.1989 0.053 Uiso 1 1 calc R
C31 C 0.7550(5) 0.1774(3) 0.2203(3) 0.0547(14) Uani 1 1 d U
H31 H 0.7502 0.2189 0.2354 0.066 Uiso 1 1 calc R
C32 C 0.8405(5) 0.1488(3) 0.2200(3) 0.0529(14) Uani 1 1 d U
H32 H 0.8942 0.1707 0.2340 0.063 Uiso 1 1 calc R
C33 C 0.8471(5) 0.0867(3) 0.1988(3) 0.0543(14) Uani 1 1 d U
H33 H 0.9052 0.0664 0.1993 0.065 Uiso 1 1 calc R
C34 C 0.7674(4) 0.0548(3) 0.1768(3) 0.0421(11) Uani 1 1 d U
H34 H 0.7728 0.0132 0.1622 0.051 Uiso 1 1 calc R
C35 C 0.0233(5) -0.1451(4) 0.4414(3) 0.0561(16) Uani 1 1 d U
H35A H 0.0038 -0.1027 0.4519 0.084 Uiso 1 1 calc R
H35B H 0.0751 -0.1575 0.4694 0.084 Uiso 1 1 calc R
H35C H -0.0281 -0.1740 0.4465 0.084 Uiso 1 1 calc R
C36 C 0.0848(4) -0.2151(3) 0.3566(3) 0.0462(14) Uani 1 1 d U
H36A H 0.1042 -0.2175 0.3132 0.069 Uiso 1 1 calc R
H36B H 0.0331 -0.2436 0.3624 0.069 Uiso 1 1 calc R
H36C H 0.1363 -0.2269 0.3851 0.069 Uiso 1 1 calc R
C37 C 0.0541(4) -0.1469(3) 0.3714(2) 0.0337(11) Uani 1 1 d U
C38 C -0.0291(3) -0.1310(3) 0.3253(2) 0.0330(10) Uani 1 1 d U
C39 C -0.1182(4) -0.1546(3) 0.3355(3) 0.0466(13) Uani 1 1 d U
H39 H -0.1286 -0.1781 0.3722 0.056 Uiso 1 1 calc R
C40 C -0.1926(4) -0.1438(3) 0.2920(3) 0.0523(14) Uani 1 1 d U
H40 H -0.2513 -0.1610 0.2997 0.063 Uiso 1 1 calc R
C41 C -0.1809(4) -0.1085(3) 0.2382(3) 0.0511(14) Uani 1 1 d U
H41 H -0.2312 -0.1010 0.2097 0.061 Uiso 1 1 calc R
C42 C -0.0927(4) -0.0842(3) 0.2270(3) 0.0501(13) Uani 1 1 d U
H42 H -0.0834 -0.0600 0.1905 0.060 Uiso 1 1 calc R
C43 C -0.0179(4) -0.0959(3) 0.2701(3) 0.0416(11) Uani 1 1 d U
H43 H 0.0412 -0.0796 0.2616 0.050 Uiso 1 1 calc R
C44 C 0.1676(4) 0.0824(2) 0.3858(2) 0.0323(10) Uani 1 1 d U
C45 C 0.2392(4) 0.1087(3) 0.4366(3) 0.0434(13) Uani 1 1 d U
H45A H 0.3017 0.1048 0.4212 0.065 Uiso 1 1 calc R
H45B H 0.2346 0.0850 0.4756 0.065 Uiso 1 1 calc R
H45C H 0.2257 0.1528 0.4445 0.065 Uiso 1 1 calc R
C46 C 0.0692(4) 0.0898(3) 0.4130(3) 0.0465(14) Uani 1 1 d U
H46A H 0.0228 0.0739 0.3826 0.070 Uiso 1 1 calc R
H46B H 0.0573 0.1340 0.4212 0.070 Uiso 1 1 calc R
H46C H 0.0661 0.0661 0.4522 0.070 Uiso 1 1 calc R
C47 C 0.1651(4) 0.1221(2) 0.3245(2) 0.0339(10) Uani 1 1 d U
C48 C 0.1727(5) 0.1876(3) 0.3262(3) 0.0494(12) Uani 1 1 d U
H48 H 0.1861 0.2074 0.3652 0.059 Uiso 1 1 calc R
C49 C 0.1613(5) 0.2247(3) 0.2719(3) 0.0572(14) Uani 1 1 d U
H49 H 0.1675 0.2687 0.2750 0.069 Uiso 1 1 calc R
C50 C 0.1411(5) 0.1976(3) 0.2144(3) 0.0577(15) Uani 1 1 d U
H50 H 0.1328 0.2226 0.1779 0.069 Uiso 1 1 calc R
C51 C 0.1330(5) 0.1317(3) 0.2109(3) 0.0625(15) Uani 1 1 d U
H51 H 0.1195 0.1123 0.1717 0.075 Uiso 1 1 calc R
C52 C 0.1448(5) 0.0949(3) 0.2653(3) 0.0486(12) Uani 1 1 d U
H52 H 0.1391 0.0509 0.2620 0.058 Uiso 1 1 calc R
C53 C 0.7375(5) 0.0626(4) 0.4579(3) 0.0698(18) Uani 1 1 d U
H53A H 0.7023 0.0383 0.4884 0.084 Uiso 1 1 calc R
H53B H 0.7567 0.1028 0.4772 0.084 Uiso 1 1 calc R
C54 C 0.8203(6) 0.0260(5) 0.4362(4) 0.095(2) Uani 1 1 d U
H54A H 0.8783 0.0458 0.4518 0.113 Uiso 1 1 calc R
H54B H 0.8186 -0.0174 0.4522 0.113 Uiso 1 1 calc R
C55 C 0.8151(6) 0.0262(5) 0.3672(4) 0.092(2) Uani 1 1 d U
H55A H 0.8761 0.0353 0.3500 0.111 Uiso 1 1 calc R
H55B H 0.7929 -0.0145 0.3507 0.111 Uiso 1 1 calc R
C56 C 0.7507(5) 0.0748(4) 0.3519(3) 0.0690(15) Uani 1 1 d U
H56 H 0.7523 0.1028 0.3175 0.083 Uiso 1 1 calc R
C57 C 0.4185(5) 0.1819(3) 0.2989(3) 0.0529(14) Uani 1 1 d U
H57A H 0.3639 0.1553 0.3056 0.063 Uiso 1 1 calc R
H57B H 0.4275 0.1857 0.2533 0.063 Uiso 1 1 calc R
C58 C 0.4070(6) 0.2462(3) 0.3291(4) 0.0665(16) Uani 1 1 d U
H58A H 0.3735 0.2753 0.3003 0.080 Uiso 1 1 calc R
H58B H 0.3738 0.2432 0.3687 0.080 Uiso 1 1 calc R
C59 C 0.5066(6) 0.2672(3) 0.3412(5) 0.083(2) Uani 1 1 d U
H59A H 0.5312 0.2869 0.3033 0.099 Uiso 1 1 calc R
H59B H 0.5110 0.2973 0.3763 0.099 Uiso 1 1 calc R
C60 C 0.5586(5) 0.2076(3) 0.3575(4) 0.0583(16) Uani 1 1 d U
H60A H 0.6199 0.2079 0.3388 0.070 Uiso 1 1 calc R
H60B H 0.5670 0.2033 0.4036 0.070 Uiso 1 1 calc R
C61 C 0.2648(7) -0.1150(4) 0.1458(5) 0.091(2) Uani 1 1 d U
H61A H 0.2708 -0.1500 0.1160 0.109 Uiso 1 1 calc R
H61B H 0.2853 -0.1293 0.1882 0.109 Uiso 1 1 calc R
C62 C 0.1726(7) -0.0932(4) 0.1458(5) 0.096(2) Uani 1 1 d U
H62A H 0.1432 -0.0978 0.1035 0.116 Uiso 1 1 calc R
H62B H 0.1368 -0.1178 0.1758 0.116 Uiso 1 1 calc R
C63 C 0.1742(6) -0.0304(4) 0.1634(5) 0.0826(19) Uani 1 1 d U
H63A H 0.1566 -0.0261 0.2075 0.099 Uiso 1 1 calc R
H63B H 0.1299 -0.0063 0.1366 0.099 Uiso 1 1 calc R
C64 C 0.2681(6) -0.0068(4) 0.1559(4) 0.0794(18) Uani 1 1 d U
H64A H 0.2968 0.0040 0.1972 0.095 Uiso 1 1 calc R
H64B H 0.2668 0.0311 0.1293 0.095 Uiso 1 1 calc R
C65 C 0.5869(8) -0.2604(4) 0.4590(6) 0.119(2) Uani 1 1 d U
H65A H 0.5437 -0.2687 0.4231 0.143 Uiso 1 1 calc RD
H65B H 0.5564 -0.2316 0.4880 0.143 Uiso 1 1 calc RD
C66 C 0.6698(8) -0.2316(5) 0.4368(6) 0.114(3) Uani 1 1 d U
H66A H 0.6763 -0.1881 0.4520 0.136 Uiso 1 1 calc R
H66B H 0.6709 -0.2321 0.3905 0.136 Uiso 1 1 calc R
C67 C 0.7442(8) -0.2736(5) 0.4660(6) 0.120(3) Uani 1 1 d U
H67A H 0.7949 -0.2806 0.4370 0.144 Uiso 1 1 calc R
H67B H 0.7696 -0.2563 0.5060 0.144 Uiso 1 1 calc R
C68 C 0.6910(9) -0.3312(6) 0.4761(7) 0.134(3) Uani 1 1 d U
H68A H 0.6910 -0.3585 0.4387 0.161 Uiso 1 1 calc R
H68B H 0.7162 -0.3547 0.5128 0.161 Uiso 1 1 calc R
C69 C 0.9553(14) -0.0034(11) 0.0434(10) 0.105(5) Uani 0.50 1 d PU
C70 C 0.9846(13) -0.0451(9) -0.0247(9) 0.091(3) Uani 0.50 1 d PU
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
O1 La1 O2 100.65(12) . .
O1 La1 O3 109.76(11) . .
O2 La1 O3 115.18(12) . .
O1 La1 O4 156.18(12) . 3_656
O2 La1 O4 96.36(11) . 3_656
O3 La1 O4 77.18(11) . 3_656
O1 La1 O6 86.88(12) . .
O2 La1 O6 87.49(12) . .
O3 La1 O6 147.42(11) . .
O4 La1 O6 77.29(11) 3_656 .
O1 La1 O5 80.81(12) . .
O2 La1 O5 168.83(12) . .
O3 La1 O5 74.17(12) . .
O4 La1 O5 79.35(12) 3_656 .
O6 La1 O5 81.51(13) . .
O1 La1 N1 73.78(11) . .
O2 La1 N1 73.48(11) . .
O3 La1 N1 63.05(10) . .
O4 La1 N1 127.57(11) 3_656 .
O6 La1 N1 149.39(11) . .
O5 La1 N1 117.33(12) . .
C1 O1 La1 143.0(3) . .
C14 O2 La1 137.9(3) . .
C16 O3 La1 120.2(3) . .
C16 O4 La1 124.4(3) . 3_656
C56 O5 C53 104.1(5) . .
C56 O5 La1 122.3(4) . .
C53 O5 La1 128.1(4) . .
C60 O6 C57 109.0(4) . .
C60 O6 La1 124.7(3) . .
C57 O6 La1 122.0(3) . .
C64 O7 C61 99.0(8) . .
C68 O8 C65 113.8(16) . .
C15 N1 C8 111.5(3) . .
C15 N1 C7 109.3(3) . .
C8 N1 C7 109.5(3) . .
C15 N1 La1 108.2(3) . .
C8 N1 La1 112.4(3) . .
C7 N1 La1 105.8(3) . .
O1 C1 C6 119.0(4) . .
O1 C1 C2 122.1(4) . .
C6 C1 C2 118.9(4) . .
C3 C2 C1 118.1(4) . .
C3 C2 C26 121.9(4) . .
C1 C2 C26 120.0(4) . .
C2 C3 C4 123.8(4) . .
C2 C3 H3 118.1 . .
C4 C3 H3 118.1 . .
C5 C4 C3 117.3(4) . .
C5 C4 C17 122.5(4) . .
C3 C4 C17 120.1(4) . .
C4 C5 C6 121.4(4) . .
C4 C5 H5 119.3 . .
C6 C5 H5 119.3 . .
C5 C6 C1 120.5(4) . .
C5 C6 C7 119.4(4) . .
C1 C6 C7 120.1(4) . .
N1 C7 C6 115.5(3) . .
N1 C7 H7A 108.4 . .
C6 C7 H7A 108.4 . .
N1 C7 H7B 108.4 . .
C6 C7 H7B 108.4 . .
H7A C7 H7B 107.5 . .
N1 C8 C9 114.3(4) . .
N1 C8 H8A 108.7 . .
C9 C8 H8A 108.7 . .
N1 C8 H8B 108.7 . .
C9 C8 H8B 108.7 . .
H8A C8 H8B 107.6 . .
C10 C9 C14 120.7(4) . .
C10 C9 C8 118.9(4) . .
C14 C9 C8 120.2(4) . .
C11 C10 C9 122.1(5) . .
C11 C10 H10 118.9 . .
C9 C10 H10 118.9 . .
C10 C11 C12 116.4(4) . .
C10 C11 C37 123.4(5) . .
C12 C11 C37 120.2(4) . .
C13 C12 C11 124.0(5) . .
C13 C12 H12 118.0 . .
C11 C12 H12 118.0 . .
C12 C13 C14 118.4(4) . .
C12 C13 C44 120.9(4) . .
C14 C13 C44 120.6(4) . .
O2 C14 C9 119.6(4) . .
O2 C14 C13 122.1(4) . .
C9 C14 C13 118.3(4) . .
N1 C15 C16 113.5(4) . .
N1 C15 H15A 108.9 . .
C16 C15 H15A 108.9 . .
N1 C15 H15B 108.9 . .
C16 C15 H15B 108.9 . .
H15A C15 H15B 107.7 . .
O4 C16 O3 125.3(4) . .
O4 C16 C15 117.1(4) . .
O3 C16 C15 117.6(4) . .
C19 C17 C20 108.2(4) . .
C19 C17 C4 112.7(4) . .
C20 C17 C4 109.5(4) . .
C19 C17 C18 107.3(4) . .
C20 C17 C18 111.4(4) . .
C4 C17 C18 107.8(4) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 C20 C25 116.7(5) . .
C21 C20 C17 124.1(5) . .
C25 C20 C17 119.1(5) . .
C20 C21 C22 122.4(5) . .
C20 C21 H21 118.8 . .
C22 C21 H21 118.8 . .
C23 C22 C21 120.0(6) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 119.2(6) . .
C22 C23 H23 120.4 . .
C24 C23 H23 120.4 . .
C25 C24 C23 119.9(7) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C20 121.6(6) . .
C24 C25 H25 119.2 . .
C20 C25 H25 119.2 . .
C27 C26 C29 112.8(4) . .
C27 C26 C2 108.5(4) . .
C29 C26 C2 111.1(4) . .
C27 C26 C28 106.6(4) . .
C29 C26 C28 105.8(4) . .
C2 C26 C28 112.0(4) . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 C34 116.9(5) . .
C30 C29 C26 123.1(5) . .
C34 C29 C26 119.7(5) . .
C31 C30 C29 121.2(6) . .
C31 C30 H30 119.4 . .
C29 C30 H30 119.4 . .
C32 C31 C30 120.8(6) . .
C32 C31 H31 119.6 . .
C30 C31 H31 119.6 . .
C31 C32 C33 119.4(6) . .
C31 C32 H32 120.3 . .
C33 C32 H32 120.3 . .
C32 C33 C34 119.9(6) . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C33 C34 C29 121.7(6) . .
C33 C34 H34 119.1 . .
C29 C34 H34 119.1 . .
C37 C35 H35A 109.5 . .
C37 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C37 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C37 C36 H36A 109.5 . .
C37 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C37 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C11 C37 C36 111.8(4) . .
C11 C37 C38 111.2(4) . .
C36 C37 C38 107.2(4) . .
C11 C37 C35 108.2(4) . .
C36 C37 C35 107.9(5) . .
C38 C37 C35 110.5(4) . .
C43 C38 C39 116.8(5) . .
C43 C38 C37 122.0(5) . .
C39 C38 C37 121.1(5) . .
C38 C39 C40 121.5(6) . .
C38 C39 H39 119.3 . .
C40 C39 H39 119.3 . .
C41 C40 C39 121.1(6) . .
C41 C40 H40 119.4 . .
C39 C40 H40 119.4 . .
C40 C41 C42 118.7(6) . .
C40 C41 H41 120.6 . .
C42 C41 H41 120.6 . .
C41 C42 C43 120.1(6) . .
C41 C42 H42 120.0 . .
C43 C42 H42 120.0 . .
C38 C43 C42 121.7(5) . .
C38 C43 H43 119.1 . .
C42 C43 H43 119.1 . .
C47 C44 C46 105.1(4) . .
C47 C44 C13 111.8(4) . .
C46 C44 C13 110.8(4) . .
C47 C44 C45 112.0(4) . .
C46 C44 C45 107.2(4) . .
C13 C44 C45 109.7(4) . .
C44 C45 H45A 109.5 . .
C44 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C44 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C44 C46 H46A 109.5 . .
C44 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C44 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C48 C47 C52 116.6(5) . .
C48 C47 C44 121.6(5) . .
C52 C47 C44 121.5(5) . .
C49 C48 C47 122.3(6) . .
C49 C48 H48 118.8 . .
C47 C48 H48 118.8 . .
C50 C49 C48 120.5(6) . .
C50 C49 H49 119.7 . .
C48 C49 H49 119.7 . .
C49 C50 C51 118.7(6) . .
C49 C50 H50 120.7 . .
C51 C50 H50 120.7 . .
C52 C51 C50 120.5(6) . .
C52 C51 H51 119.8 . .
C50 C51 H51 119.8 . .
C51 C52 C47 121.4(6) . .
C51 C52 H52 119.3 . .
C47 C52 H52 119.3 . .
O5 C53 C54 102.8(6) . .
O5 C53 H53A 111.2 . .
C54 C53 H53A 111.2 . .
O5 C53 H53B 111.2 . .
C54 C53 H53B 111.2 . .
H53A C53 H53B 109.1 . .
C55 C54 C53 106.8(7) . .
C55 C54 H54A 110.4 . .
C53 C54 H54A 110.4 . .
C55 C54 H54B 110.4 . .
C53 C54 H54B 110.4 . .
H54A C54 H54B 108.6 . .
C56 C55 C54 103.9(8) . .
C56 C55 H55A 111.0 . .
C54 C55 H55A 111.0 . .
C56 C55 H55B 111.0 . .
C54 C55 H55B 111.0 . .
H55A C55 H55B 109.0 . .
O5 C56 C55 105.9(7) . .
O5 C56 H56 127.1 . .
C55 C56 H56 127.1 . .
O6 C57 C58 104.0(5) . .
O6 C57 H57A 111.0 . .
C58 C57 H57A 111.0 . .
O6 C57 H57B 111.0 . .
C58 C57 H57B 111.0 . .
H57A C57 H57B 109.0 . .
C59 C58 C57 102.6(6) . .
C59 C58 H58A 111.2 . .
C57 C58 H58A 111.2 . .
C59 C58 H58B 111.2 . .
C57 C58 H58B 111.2 . .
H58A C58 H58B 109.2 . .
C60 C59 C58 104.6(6) . .
C60 C59 H59A 110.8 . .
C58 C59 H59A 110.8 . .
C60 C59 H59B 110.8 . .
C58 C59 H59B 110.8 . .
H59A C59 H59B 108.9 . .
O6 C60 C59 106.2(6) . .
O6 C60 H60A 110.5 . .
C59 C60 H60A 110.5 . .
O6 C60 H60B 110.5 . .
C59 C60 H60B 110.5 . .
H60A C60 H60B 108.7 . .
C62 C61 O7 104.9(8) . .
C62 C61 H61A 110.8 . .
O7 C61 H61A 110.8 . .
C62 C61 H61B 110.8 . .
O7 C61 H61B 110.8 . .
H61A C61 H61B 108.8 . .
C63 C62 C61 108.1(8) . .
C63 C62 H62A 110.1 . .
C61 C62 H62A 110.1 . .
C63 C62 H62B 110.1 . .
C61 C62 H62B 110.1 . .
H62A C62 H62B 108.4 . .
C62 C63 C64 108.1(8) . .
C62 C63 H63A 110.1 . .
C64 C63 H63A 110.1 . .
C62 C63 H63B 110.1 . .
C64 C63 H63B 110.1 . .
H63A C63 H63B 108.4 . .
C63 C64 O7 107.3(7) . .
C63 C64 H64A 110.3 . .
O7 C64 H64A 110.3 . .
C63 C64 H64B 110.3 . .
O7 C64 H64B 110.3 . .
H64A C64 H64B 108.5 . .
C66 C65 O8 110.3(12) . .
C66 C65 H65A 109.6 . .
O8 C65 H65A 109.6 . .
C66 C65 H65B 109.6 . .
O8 C65 H65B 109.6 . .
H65A C65 H65B 108.1 . .
C65 C66 C67 101.6(9) . .
C65 C66 H66A 111.5 . .
C67 C66 H66A 111.5 . .
C65 C66 H66B 111.5 . .
C67 C66 H66B 111.5 . .
H66A C66 H66B 109.3 . .
C68 C67 C66 100.8(10) . .
C68 C67 H67A 111.6 . .
C66 C67 H67A 111.6 . .
C68 C67 H67B 111.6 . .
C66 C67 H67B 111.6 . .
H67A C67 H67B 109.4 . .
O8 C68 C67 103.2(11) . .
O8 C68 H68A 111.1 . .
C67 C68 H68A 111.1 . .
O8 C68 H68B 111.1 . .
C67 C68 H68B 111.1 . .
H68A C68 H68B 109.1 . .
C70 C69 C70 88.3(15) 3_755 .
C69 C70 C69 91.7(15) 3_755 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O1 2.288(3) .
La1 O2 2.303(3) .
La1 O3 2.476(3) .
La1 O4 2.528(3) 3_656
La1 O6 2.558(3) .
La1 O5 2.623(4) .
La1 N1 2.679(4) .
O1 C1 1.330(5) .
O2 C14 1.330(6) .
O3 C16 1.263(6) .
O4 C16 1.248(6) .
O4 La1 2.528(3) 3_656
O5 C56 1.402(8) .
O5 C53 1.444(7) .
O6 C60 1.451(7) .
O6 C57 1.454(7) .
O7 C64 1.478(11) .
O7 C61 1.522(12) .
O8 C68 1.318(17) .
O8 C65 1.21(2) .
N1 C15 1.469(6) .
N1 C8 1.492(5) .
N1 C7 1.497(5) .
C1 C6 1.407(6) .
C1 C2 1.424(6) .
C2 C3 1.385(7) .
C2 C26 1.540(6) .
C3 C4 1.393(7) .
C3 H3 0.9300 .
C4 C5 1.390(6) .
C4 C17 1.536(6) .
C5 C6 1.393(6) .
C5 H5 0.9300 .
C6 C7 1.511(6) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.504(6) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.395(7) .
C9 C14 1.408(7) .
C10 C11 1.386(7) .
C10 H10 0.9300 .
C11 C12 1.400(7) .
C11 C37 1.527(7) .
C12 C13 1.390(7) .
C12 H12 0.9300 .
C13 C14 1.422(7) .
C13 C44 1.543(7) .
C15 C16 1.518(6) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C17 C19 1.530(7) .
C17 C20 1.536(7) .
C17 C18 1.542(7) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 C21 1.379(7) .
C20 C25 1.383(8) .
C21 C22 1.386(8) .
C21 H21 0.9300 .
C22 C23 1.349(9) .
C22 H22 0.9300 .
C23 C24 1.397(10) .
C23 H23 0.9300 .
C24 C25 1.378(9) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C27 1.536(7) .
C26 C29 1.539(7) .
C26 C28 1.547(7) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C30 1.388(8) .
C29 C34 1.391(8) .
C30 C31 1.388(8) .
C30 H30 0.9300 .
C31 C32 1.357(9) .
C31 H31 0.9300 .
C32 C33 1.381(9) .
C32 H32 0.9300 .
C33 C34 1.382(8) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C37 1.543(7) .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 C37 1.531(8) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C38 1.535(7) .
C38 C43 1.384(7) .
C38 C39 1.385(7) .
C39 C40 1.388(8) .
C39 H39 0.9300 .
C40 C41 1.360(9) .
C40 H40 0.9300 .
C41 C42 1.383(8) .
C41 H41 0.9300 .
C42 C43 1.393(8) .
C42 H42 0.9300 .
C43 H43 0.9300 .
C44 C47 1.528(7) .
C44 C46 1.539(7) .
C44 C45 1.547(7) .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 C48 1.379(8) .
C47 C52 1.385(8) .
C48 C49 1.381(8) .
C48 H48 0.9300 .
C49 C50 1.351(9) .
C49 H49 0.9300 .
C50 C51 1.389(9) .
C50 H50 0.9300 .
C51 C52 1.379(9) .
C51 H51 0.9300 .
C52 H52 0.9300 .
C53 C54 1.491(11) .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C54 C55 1.441(11) .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C55 C56 1.402(11) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 H56 0.9300 .
C57 C58 1.503(8) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 C59 1.496(11) .
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C59 C60 1.486(9) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C60 H60A 0.9700 .
C60 H60B 0.9700 .
C61 C62 1.389(12) .
C61 H61A 0.9700 .
C61 H61B 0.9700 .
C62 C63 1.368(11) .
C62 H62A 0.9700 .
C62 H62B 0.9700 .
C63 C64 1.439(11) .
C63 H63A 0.9700 .
C63 H63B 0.9700 .
C64 H64A 0.9700 .
C64 H64B 0.9700 .
C65 C66 1.418(14) .
C65 H65A 0.9700 .
C65 H65B 0.9700 .
C66 C67 1.491(13) .
C66 H66A 0.9700 .
C66 H66B 0.9700 .
C67 C68 1.447(15) .
C67 H67A 0.9700 .
C67 H67B 0.9700 .
C68 H68A 0.9700 .
C68 H68B 0.9700 .
C69 C70 1.40(3) 3_755
C69 C70 1.73(3) .
C70 C69 1.40(3) 3_755
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
O2 La1 O1 C1 -61.4(5) . .
O3 La1 O1 C1 60.4(5) . .
O4 La1 O1 C1 163.7(4) 3_656 .
O6 La1 O1 C1 -148.3(5) . .
O5 La1 O1 C1 129.8(5) . .
N1 La1 O1 C1 7.7(5) . .
O1 La1 O2 C14 99.0(4) . .
O3 La1 O2 C14 -18.9(4) . .
O4 La1 O2 C14 -97.7(4) 3_656 .
O6 La1 O2 C14 -174.6(4) . .
O5 La1 O2 C14 -164.4(6) . .
N1 La1 O2 C14 29.7(4) . .
O1 La1 O3 C16 -94.3(3) . .
O2 La1 O3 C16 18.4(4) . .
O4 La1 O3 C16 109.5(4) 3_656 .
O6 La1 O3 C16 148.7(3) . .
O5 La1 O3 C16 -168.1(4) . .
N1 La1 O3 C16 -35.3(3) . .
O1 La1 O5 C56 10.5(5) . .
O2 La1 O5 C56 -88.0(8) . .
O3 La1 O5 C56 124.2(5) . .
O4 La1 O5 C56 -156.3(5) 3_656 .
O6 La1 O5 C56 -77.7(5) . .
N1 La1 O5 C56 76.7(5) . .
O1 La1 O5 C53 -139.2(5) . .
O2 La1 O5 C53 122.3(7) . .
O3 La1 O5 C53 -25.5(5) . .
O4 La1 O5 C53 54.0(5) 3_656 .
O6 La1 O5 C53 132.6(5) . .
N1 La1 O5 C53 -72.9(6) . .
O1 La1 O6 C60 -112.3(5) . .
O2 La1 O6 C60 146.8(5) . .
O3 La1 O6 C60 10.6(6) . .
O4 La1 O6 C60 49.7(5) 3_656 .
O5 La1 O6 C60 -31.2(5) . .
N1 La1 O6 C60 -162.4(4) . .
O1 La1 O6 C57 93.7(4) . .
O2 La1 O6 C57 -7.1(4) . .
O3 La1 O6 C57 -143.3(4) . .
O4 La1 O6 C57 -104.2(4) 3_656 .
O5 La1 O6 C57 174.9(4) . .
N1 La1 O6 C57 43.7(5) . .
O1 La1 N1 C15 155.2(3) . .
O2 La1 N1 C15 -98.1(3) . .
O3 La1 N1 C15 32.3(3) . .
O4 La1 N1 C15 -12.8(3) 3_656 .
O6 La1 N1 C15 -151.9(3) . .
O5 La1 N1 C15 84.9(3) . .
O1 La1 N1 C8 -81.3(3) . .
O2 La1 N1 C8 25.4(3) . .
O3 La1 N1 C8 155.8(3) . .
O4 La1 N1 C8 110.7(3) 3_656 .
O6 La1 N1 C8 -28.4(4) . .
O5 La1 N1 C8 -151.6(3) . .
O1 La1 N1 C7 38.2(2) . .
O2 La1 N1 C7 144.9(3) . .
O3 La1 N1 C7 -84.7(2) . .
O4 La1 N1 C7 -129.8(2) 3_656 .
O6 La1 N1 C7 91.1(3) . .
O5 La1 N1 C7 -32.1(3) . .
La1 O1 C1 C6 -27.8(7) . .
La1 O1 C1 C2 150.5(4) . .
O1 C1 C2 C3 -179.7(4) . .
C6 C1 C2 C3 -1.4(7) . .
O1 C1 C2 C26 -1.3(7) . .
C6 C1 C2 C26 177.1(4) . .
C1 C2 C3 C4 1.7(7) . .
C26 C2 C3 C4 -176.8(4) . .
C2 C3 C4 C5 -0.7(7) . .
C2 C3 C4 C17 174.8(4) . .
C3 C4 C5 C6 -0.6(7) . .
C17 C4 C5 C6 -176.0(4) . .
C4 C5 C6 C1 0.8(7) . .
C4 C5 C6 C7 -177.6(4) . .
O1 C1 C6 C5 178.6(4) . .
C2 C1 C6 C5 0.2(7) . .
O1 C1 C6 C7 -3.0(6) . .
C2 C1 C6 C7 178.6(4) . .
C15 N1 C7 C6 167.2(4) . .
C8 N1 C7 C6 44.8(5) . .
La1 N1 C7 C6 -76.5(4) . .
C5 C6 C7 N1 -119.7(4) . .
C1 C6 C7 N1 61.8(6) . .
C15 N1 C8 C9 54.3(5) . .
C7 N1 C8 C9 175.3(4) . .
La1 N1 C8 C9 -67.4(4) . .
N1 C8 C9 C10 -120.7(4) . .
N1 C8 C9 C14 62.8(5) . .
C14 C9 C10 C11 0.9(7) . .
C8 C9 C10 C11 -175.6(4) . .
C9 C10 C11 C12 0.5(7) . .
C9 C10 C11 C37 179.1(4) . .
C10 C11 C12 C13 -1.4(7) . .
C37 C11 C12 C13 180.0(4) . .
C11 C12 C13 C14 0.8(7) . .
C11 C12 C13 C44 178.5(4) . .
La1 O2 C14 C9 -45.9(6) . .
La1 O2 C14 C13 135.0(4) . .
C10 C9 C14 O2 179.3(4) . .
C8 C9 C14 O2 -4.3(6) . .
C10 C9 C14 C13 -1.5(6) . .
C8 C9 C14 C13 174.9(4) . .
C12 C13 C14 O2 179.8(4) . .
C44 C13 C14 O2 2.2(7) . .
C12 C13 C14 C9 0.7(6) . .
C44 C13 C14 C9 -177.0(4) . .
C8 N1 C15 C16 -155.9(4) . .
C7 N1 C15 C16 82.9(4) . .
La1 N1 C15 C16 -31.8(4) . .
La1 O4 C16 O3 42.7(6) 3_656 .
La1 O4 C16 C15 -134.4(3) 3_656 .
La1 O3 C16 O4 -145.7(4) . .
La1 O3 C16 C15 31.3(5) . .
N1 C15 C16 O4 -178.3(4) . .
N1 C15 C16 O3 4.4(6) . .
C5 C4 C17 C19 -19.3(6) . .
C3 C4 C17 C19 165.5(4) . .
C5 C4 C17 C20 -139.7(5) . .
C3 C4 C17 C20 45.1(6) . .
C5 C4 C17 C18 98.9(5) . .
C3 C4 C17 C18 -76.3(6) . .
C19 C17 C20 C21 121.8(6) . .
C4 C17 C20 C21 -115.0(6) . .
C18 C17 C20 C21 4.1(7) . .
C19 C17 C20 C25 -58.4(7) . .
C4 C17 C20 C25 64.8(6) . .
C18 C17 C20 C25 -176.1(5) . .
C25 C20 C21 C22 1.4(9) . .
C17 C20 C21 C22 -178.8(5) . .
C20 C21 C22 C23 1.0(10) . .
C21 C22 C23 C24 -3.7(11) . .
C22 C23 C24 C25 4.1(12) . .
C23 C24 C25 C20 -1.8(12) . .
C21 C20 C25 C24 -0.9(10) . .
C17 C20 C25 C24 179.2(6) . .
C3 C2 C26 C27 115.3(5) . .
C1 C2 C26 C27 -63.1(6) . .
C3 C2 C26 C29 -120.2(5) . .
C1 C2 C26 C29 61.4(6) . .
C3 C2 C26 C28 -2.2(6) . .
C1 C2 C26 C28 179.5(4) . .
C27 C26 C29 C30 -14.9(7) . .
C2 C26 C29 C30 -137.0(5) . .
C28 C26 C29 C30 101.3(6) . .
C27 C26 C29 C34 171.5(5) . .
C2 C26 C29 C34 49.5(6) . .
C28 C26 C29 C34 -72.3(6) . .
C34 C29 C30 C31 0.5(8) . .
C26 C29 C30 C31 -173.2(5) . .
C29 C30 C31 C32 0.2(10) . .
C30 C31 C32 C33 -1.2(10) . .
C31 C32 C33 C34 1.4(10) . .
C32 C33 C34 C29 -0.7(9) . .
C30 C29 C34 C33 -0.3(8) . .
C26 C29 C34 C33 173.6(5) . .
C10 C11 C37 C36 2.8(7) . .
C12 C11 C37 C36 -178.7(5) . .
C10 C11 C37 C38 -117.0(5) . .
C12 C11 C37 C38 61.5(6) . .
C10 C11 C37 C35 121.5(5) . .
C12 C11 C37 C35 -60.0(6) . .
C11 C37 C38 C43 23.2(7) . .
C36 C37 C38 C43 -99.3(6) . .
C35 C37 C38 C43 143.3(6) . .
C11 C37 C38 C39 -160.7(5) . .
C36 C37 C38 C39 76.8(6) . .
C35 C37 C38 C39 -40.5(7) . .
C43 C38 C39 C40 0.5(9) . .
C37 C38 C39 C40 -175.8(6) . .
C38 C39 C40 C41 -1.3(10) . .
C39 C40 C41 C42 1.0(10) . .
C40 C41 C42 C43 0.0(10) . .
C39 C38 C43 C42 0.5(9) . .
C37 C38 C43 C42 176.8(5) . .
C41 C42 C43 C38 -0.8(10) . .
C12 C13 C44 C47 -109.0(5) . .
C14 C13 C44 C47 68.6(6) . .
C12 C13 C44 C46 7.9(6) . .
C14 C13 C44 C46 -174.5(4) . .
C12 C13 C44 C45 126.1(5) . .
C14 C13 C44 C45 -56.3(6) . .
C46 C44 C47 C48 77.8(6) . .
C13 C44 C47 C48 -161.9(5) . .
C45 C44 C47 C48 -38.3(7) . .
C46 C44 C47 C52 -95.2(6) . .
C13 C44 C47 C52 25.2(7) . .
C45 C44 C47 C52 148.8(5) . .
C52 C47 C48 C49 -0.2(9) . .
C44 C47 C48 C49 -173.5(6) . .
C47 C48 C49 C50 0.5(11) . .
C48 C49 C50 C51 -0.6(11) . .
C49 C50 C51 C52 0.4(11) . .
C50 C51 C52 C47 0.0(11) . .
C48 C47 C52 C51 0.0(9) . .
C44 C47 C52 C51 173.2(6) . .
C56 O5 C53 C54 -30.0(8) . .
La1 O5 C53 C54 123.9(6) . .
O5 C53 C54 C55 8.6(10) . .
C53 C54 C55 C56 15.9(11) . .
C53 O5 C56 C55 42.0(8) . .
La1 O5 C56 C55 -113.9(6) . .
C54 C55 C56 O5 -35.7(9) . .
C60 O6 C57 C58 -23.0(7) . .
La1 O6 C57 C58 134.6(4) . .
O6 C57 C58 C59 35.3(7) . .
C57 C58 C59 C60 -34.8(8) . .
C57 O6 C60 C59 1.1(8) . .
La1 O6 C60 C59 -155.6(5) . .
C58 C59 C60 O6 21.3(9) . .
C64 O7 C61 C62 34.7(11) . .
O7 C61 C62 C63 -33.3(12) . .
C61 C62 C63 C64 17.3(12) . .
C62 C63 C64 O7 6.4(12) . .
C61 O7 C64 C63 -24.4(11) . .
C68 O8 C65 C66 -15(3) . .
O8 C65 C66 C67 -7(2) . .
C65 C66 C67 C68 22.7(13) . .
C65 O8 C68 C67 30(3) . .
C66 C67 C68 O8 -31(2) . .
C70 C69 C70 C69 -0.001(2) 3_755 3_755
