#------------------------------------------------------------------------------
#$Date: 2025-08-19 14:52:15 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301804 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/21/73/2217327.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2217327
loop_
_publ_author_name
'Chun-Sen Liu'
'Li-Fen Yan'
'Ze Chang'
'Jun-Jie Wang'
_publ_section_title
Tetrakis(μ-anthracene-9-carboxylato)bis[(anthracene-9-carboxylato)(2,2'-bipyridyl)lanthanum(III)]
_journal_coeditor_code           SU2026
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m15
_journal_page_last               m16
_journal_paper_doi               10.1107/S1600536807062241
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[La2 (C15 H9 O2)6 (C10 H8 N2)2]'
_chemical_formula_moiety         'C110 H70 La2 N4 O12'
_chemical_formula_sum            'C110 H70 La2 N4 O12'
_chemical_formula_weight         1917.52
_chemical_name_systematic
;
Tetrakis(μ-anthracene-9-carboxylato)bis[(anthracene-9-
carboxylato)(2,2'-bipyridyl)lanthanum(III)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_cell_angle_alpha                113.036(4)
_cell_angle_beta                 103.257(4)
_cell_angle_gamma                102.913(3)
_cell_formula_units_Z            1
_cell_length_a                   12.1038(7)
_cell_length_b                   13.4887(8)
_cell_length_c                   15.4568(14)
_cell_measurement_reflns_used    6220
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.1616
_cell_measurement_theta_min      2.4251
_cell_volume                     2117.7(3)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'SHELXTL and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area-detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            32552
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.066
_exptl_absorpt_correction_T_max  0.8827
_exptl_absorpt_correction_T_min  0.8151
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.791
_refine_diff_density_min         -0.860
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         7432
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0292
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0402P)²+0.7206P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0755
_reflns_number_gt                6474
_reflns_number_total             7432
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            su2026.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'YES' changed to 'yes' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (9 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'YES' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (9
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2217327
_cod_database_fobs_code          2217327
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
La La1 0.676202(12) 0.570648(12) 0.595266(10) 0.03410(7) Uani d . 1
C C1 0.4637(3) 0.2753(2) 0.4356(2) 0.0417(6) Uani d . 1
C C2 0.5386(2) 0.2008(2) 0.4404(2) 0.0413(6) Uani d . 1
C C3 0.5804(3) 0.1540(2) 0.3612(2) 0.0470(7) Uani d . 1
C C4 0.5564(3) 0.1751(3) 0.2769(3) 0.0621(9) Uani d . 1
H H4A 0.5098 0.2204 0.2724 0.074 Uiso calc R 1
C C5 0.6003(4) 0.1301(4) 0.2026(3) 0.0801(12) Uani d . 1
H H5A 0.5845 0.1455 0.1483 0.096 Uiso calc R 1
C C6 0.6698(4) 0.0602(4) 0.2080(3) 0.0879(14) Uani d . 1
H H6A 0.6992 0.0295 0.1567 0.105 Uiso calc R 1
C C7 0.6943(4) 0.0371(3) 0.2856(3) 0.0772(11) Uani d . 1
H H7A 0.7398 -0.0098 0.2869 0.093 Uiso calc R 1
C C8 0.6519(3) 0.0833(3) 0.3665(3) 0.0553(8) Uani d . 1
C C9 0.6768(3) 0.0623(3) 0.4482(3) 0.0614(9) Uani d . 1
H H9A 0.7222 0.0155 0.4504 0.074 Uiso calc R 1
C C10 0.6364(3) 0.1086(3) 0.5273(3) 0.0524(8) Uani d . 1
C C11 0.6596(3) 0.0849(3) 0.6105(3) 0.0678(10) Uani d . 1
H H11A 0.7037 0.0372 0.6129 0.081 Uiso calc R 1
C C12 0.6187(4) 0.1304(4) 0.6856(3) 0.0742(11) Uani d . 1
H H12A 0.6346 0.1137 0.7392 0.089 Uiso calc R 1
C C13 0.5520(4) 0.2029(3) 0.6833(3) 0.0685(10) Uani d . 1
H H13A 0.5254 0.2350 0.7361 0.082 Uiso calc R 1
C C14 0.5261(3) 0.2266(3) 0.6052(2) 0.0549(8) Uani d . 1
H H14A 0.4811 0.2742 0.6051 0.066 Uiso calc R 1
C C15 0.5660(2) 0.1803(2) 0.5236(2) 0.0438(7) Uani d . 1
C C16 0.8859(2) 0.7626(2) 0.7512(2) 0.0419(7) Uani d . 1
C C17 0.9949(3) 0.8618(2) 0.8350(2) 0.0442(7) Uani d . 1
C C18 1.0854(3) 0.8381(3) 0.8901(2) 0.0494(7) Uani d . 1
C C19 1.0865(3) 0.7256(3) 0.8641(3) 0.0663(10) Uani d . 1
H H19A 1.0251 0.6636 0.8079 0.080 Uiso calc R 1
C C20 1.1754(4) 0.7066(4) 0.9198(4) 0.0891(13) Uani d . 1
H H20A 1.1752 0.6320 0.9005 0.107 Uiso calc R 1
C C21 1.2676(4) 0.7984(4) 1.0063(4) 0.0918(14) Uani d . 1
H H21A 1.3272 0.7840 1.0445 0.110 Uiso calc R 1
C C22 1.2707(3) 0.9062(4) 1.0342(3) 0.0714(11) Uani d . 1
H H22A 1.3328 0.9658 1.0916 0.086 Uiso calc R 1
C C23 1.1809(3) 0.9318(3) 0.9780(2) 0.0505(8) Uani d . 1
C C24 1.1819(3) 1.0422(3) 1.0058(2) 0.0502(8) Uani d . 1
H H24A 1.2421 1.1020 1.0644 0.060 Uiso calc R 1
C C25 1.0950(3) 1.0675(2) 0.9486(2) 0.0449(7) Uani d . 1
C C26 1.0969(3) 1.1815(3) 0.9768(2) 0.0562(8) Uani d . 1
H H26A 1.1579 1.2422 1.0344 0.067 Uiso calc R 1
C C27 1.0122(4) 1.2028(3) 0.9217(3) 0.0664(10) Uani d . 1
H H27A 1.0144 1.2781 0.9418 0.080 Uiso calc R 1
C C28 0.9189(3) 1.1124(3) 0.8327(3) 0.0662(9) Uani d . 1
H H28A 0.8623 1.1293 0.7942 0.079 Uiso calc R 1
C C29 0.9114(3) 1.0020(3) 0.8034(2) 0.0518(8) Uani d . 1
H H29A 0.8488 0.9434 0.7458 0.062 Uiso calc R 1
C C30 0.9994(3) 0.9749(2) 0.8606(2) 0.0441(7) Uani d . 1
C C31 0.4199(3) 0.4836(2) 0.6572(2) 0.0398(6) Uani d . 1
C C32 0.3754(2) 0.4597(2) 0.7333(2) 0.0405(6) Uani d . 1
C C33 0.4244(3) 0.5438(3) 0.8357(2) 0.0432(7) Uani d . 1
C C34 0.5145(3) 0.6538(3) 0.8742(2) 0.0510(7) Uani d . 1
H H34A 0.5438 0.6736 0.8304 0.061 Uiso calc R 1
C C35 0.5585(3) 0.7305(3) 0.9737(2) 0.0606(9) Uani d . 1
H H35A 0.6169 0.8017 0.9963 0.073 Uiso calc R 1
C C36 0.5174(3) 0.7041(3) 1.0432(3) 0.0646(9) Uani d . 1
H H36A 0.5497 0.7566 1.1112 0.078 Uiso calc R 1
C C37 0.4315(3) 0.6030(3) 1.0101(3) 0.0620(9) Uani d . 1
H H37A 0.4040 0.5864 1.0560 0.074 Uiso calc R 1
C C38 0.3804(3) 0.5196(3) 0.9068(2) 0.0506(7) Uani d . 1
C C39 0.2918(3) 0.4143(3) 0.8735(3) 0.0610(9) Uani d . 1
H H39A 0.2636 0.3992 0.9198 0.073 Uiso calc R 1
C C40 0.2441(3) 0.3311(3) 0.7739(3) 0.0548(8) Uani d . 1
C C41 0.1542(4) 0.2229(4) 0.7433(4) 0.0769(11) Uani d . 1
H H41A 0.1273 0.2088 0.7905 0.092 Uiso calc R 1
C C42 0.1084(4) 0.1412(4) 0.6463(4) 0.0841(13) Uani d . 1
H H42A 0.0496 0.0714 0.6269 0.101 Uiso calc R 1
C C43 0.1487(3) 0.1611(3) 0.5753(3) 0.0732(11) Uani d . 1
H H43A 0.1166 0.1035 0.5090 0.088 Uiso calc R 1
C C44 0.2334(3) 0.2621(3) 0.6001(3) 0.0572(8) Uani d . 1
H H44A 0.2581 0.2723 0.5505 0.069 Uiso calc R 1
C C45 0.2853(3) 0.3533(3) 0.7012(2) 0.0466(7) Uani d . 1
C C46 0.8254(3) 0.4121(3) 0.4462(2) 0.0567(8) Uani d . 1
H H46A 0.7874 0.4405 0.4067 0.068 Uiso calc R 1
C C47 0.8931(3) 0.3470(3) 0.4104(3) 0.0637(9) Uani d . 1
H H47A 0.8997 0.3313 0.3480 0.076 Uiso calc R 1
C C48 0.9498(4) 0.3063(3) 0.4680(3) 0.0731(11) Uani d . 1
H H48A 0.9977 0.2637 0.4464 0.088 Uiso calc R 1
C C49 0.9358(3) 0.3287(3) 0.5586(3) 0.0682(10) Uani d . 1
H H49A 0.9728 0.2999 0.5982 0.082 Uiso calc R 1
C C50 0.8664(3) 0.3944(2) 0.5909(2) 0.0478(7) Uani d . 1
C C51 0.8494(3) 0.4215(2) 0.6884(2) 0.0482(7) Uani d . 1
C C52 0.9075(4) 0.3890(4) 0.7559(3) 0.0806(12) Uani d . 1
H H52A 0.9579 0.3472 0.7400 0.097 Uiso calc R 1
C C53 0.8904(4) 0.4186(4) 0.8458(3) 0.0865(13) Uani d . 1
H H53A 0.9299 0.3979 0.8915 0.104 Uiso calc R 1
C C54 0.8158(4) 0.4782(3) 0.8680(3) 0.0648(9) Uani d . 1
H H54A 0.8026 0.4985 0.9286 0.078 Uiso calc R 1
C C55 0.7601(3) 0.5081(3) 0.7987(2) 0.0530(8) Uani d . 1
H H55A 0.7089 0.5492 0.8140 0.064 Uiso calc R 1
N N1 0.7758(2) 0.4809(2) 0.71062(18) 0.0458(6) Uani d . 1
N N2 0.8112(2) 0.4367(2) 0.53454(18) 0.0477(6) Uani d . 1
O O1 0.53299(17) 0.53114(18) 0.68098(14) 0.0478(5) Uani d . 1
O O2 0.51838(17) 0.38292(15) 0.47574(14) 0.0429(5) Uani d . 1
O O3 0.3521(2) 0.23338(18) 0.3940(2) 0.0691(7) Uani d . 1
O O4 0.79298(19) 0.73251(18) 0.77239(15) 0.0539(5) Uani d . 1
O O5 0.65790(17) 0.54654(17) 0.42597(14) 0.0463(5) Uani d . 1
O O6 0.88922(19) 0.7120(2) 0.66595(16) 0.0647(7) Uani d . 1
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 La1 O5 . . 73.16(7) y
O2 La1 O1 . . 73.15(6) y
O5 La1 O1 . . 135.97(6) y
O2 La1 O6 . . 151.98(7) y
O5 La1 O6 . . 90.68(7) y
O1 La1 O6 . . 130.65(7) y
O2 La1 O4 . . 151.37(7) y
O5 La1 O4 . . 135.00(7) y
O1 La1 O4 . . 79.76(6) y
O6 La1 O4 . . 51.39(7) y
O2 La1 O2 . 2_666 74.44(6) y
O5 La1 O2 . 2_666 71.53(6) y
O1 La1 O2 . 2_666 72.74(6) y
O6 La1 O2 . 2_666 122.70(7) y
O4 La1 O2 . 2_666 106.39(7) y
O2 La1 O3 . 2_666 121.09(6) y
O5 La1 O3 . 2_666 77.60(8) y
O1 La1 O3 . 2_666 96.65(8) y
O6 La1 O3 . 2_666 75.51(8) y
O4 La1 O3 . 2_666 70.62(7) y
O2 La1 O3 2_666 2_666 47.91(6) y
O2 La1 N1 . . 91.57(7) y
O5 La1 N1 . . 134.60(7) y
O1 La1 N1 . . 73.52(7) y
O6 La1 N1 . . 83.64(8) y
O4 La1 N1 . . 71.68(7) y
O2 La1 N1 2_666 . 145.95(7) y
O3 La1 N1 2_666 . 142.16(7) y
O2 La1 N2 . . 78.12(7) y
O5 La1 N2 . . 75.60(7) y
O1 La1 N2 . . 123.19(7) y
O6 La1 N2 . . 75.71(7) y
O4 La1 N2 . . 110.34(7) y
O2 La1 N2 2_666 . 141.93(7) y
O3 La1 N2 2_666 . 140.02(8) y
N1 La1 N2 . . 59.30(7) y
O2 La1 C16 . . 167.67(7) ?
O5 La1 C16 . . 113.22(8) ?
O1 La1 C16 . . 105.56(7) ?
O6 La1 C16 . . 25.37(7) ?
O4 La1 C16 . . 26.01(7) ?
O2 La1 C16 2_666 . 117.24(7) ?
O3 La1 C16 2_666 . 71.17(7) ?
N1 La1 C16 . . 76.45(8) ?
N2 La1 C16 . . 93.00(8) ?
O2 La1 C1 . 2_666 98.51(7) ?
O5 La1 C1 . 2_666 74.95(7) ?
O1 La1 C1 . 2_666 82.90(7) ?
O6 La1 C1 . 2_666 99.13(8) ?
O4 La1 C1 . 2_666 87.00(8) ?
O2 La1 C1 2_666 2_666 24.33(6) ?
O3 La1 C1 2_666 2_666 23.71(7) ?
N1 La1 C1 . 2_666 150.44(7) ?
N2 La1 C1 . 2_666 150.03(8) ?
C16 La1 C1 . 2_666 93.44(8) ?
O2 La1 La1 . 2_666 39.08(4) ?
O5 La1 La1 . 2_666 67.58(5) ?
O1 La1 La1 . 2_666 68.39(4) ?
O6 La1 La1 . 2_666 152.12(6) ?
O4 La1 La1 . 2_666 135.40(5) ?
O2 La1 La1 2_666 2_666 35.37(4) ?
O3 La1 La1 2_666 2_666 82.63(4) ?
N1 La1 La1 . 2_666 123.96(5) ?
N2 La1 La1 . 2_666 113.04(5) ?
C16 La1 La1 . 2_666 152.43(6) ?
C1 La1 La1 2_666 2_666 59.52(5) ?
O3 C1 O2 . . 120.6(3) ?
O3 C1 C2 . . 121.4(2) ?
O2 C1 C2 . . 118.0(2) ?
O3 C1 La1 . 2_666 60.80(16) ?
O2 C1 La1 . 2_666 60.37(14) ?
C2 C1 La1 . 2_666 172.5(2) ?
C15 C2 C3 . . 121.4(3) ?
C15 C2 C1 . . 119.7(3) ?
C3 C2 C1 . . 119.0(3) ?
C2 C3 C4 . . 122.8(3) ?
C2 C3 C8 . . 118.6(3) ?
C4 C3 C8 . . 118.6(3) ?
C5 C4 C3 . . 121.1(4) ?
C5 C4 H4A . . 119.4 ?
C3 C4 H4A . . 119.4 ?
C4 C5 C6 . . 120.0(4) ?
C4 C5 H5A . . 120.0 ?
C6 C5 H5A . . 120.0 ?
C7 C6 C5 . . 121.2(4) ?
C7 C6 H6A . . 119.4 ?
C5 C6 H6A . . 119.4 ?
C6 C7 C8 . . 121.2(4) ?
C6 C7 H7A . . 119.4 ?
C8 C7 H7A . . 119.4 ?
C9 C8 C7 . . 122.7(3) ?
C9 C8 C3 . . 119.5(3) ?
C7 C8 C3 . . 117.9(3) ?
C8 C9 C10 . . 122.5(3) ?
C8 C9 H9A . . 118.8 ?
C10 C9 H9A . . 118.8 ?
C9 C10 C11 . . 122.6(3) ?
C9 C10 C15 . . 118.6(3) ?
C11 C10 C15 . . 118.8(3) ?
C12 C11 C10 . . 121.2(4) ?
C12 C11 H11A . . 119.4 ?
C10 C11 H11A . . 119.4 ?
C11 C12 C13 . . 120.2(4) ?
C11 C12 H12A . . 119.9 ?
C13 C12 H12A . . 119.9 ?
C14 C13 C12 . . 120.9(4) ?
C14 C13 H13A . . 119.6 ?
C12 C13 H13A . . 119.6 ?
C13 C14 C15 . . 121.4(3) ?
C13 C14 H14A . . 119.3 ?
C15 C14 H14A . . 119.3 ?
C2 C15 C14 . . 123.0(3) ?
C2 C15 C10 . . 119.4(3) ?
C14 C15 C10 . . 117.6(3) ?
O6 C16 O4 . . 122.0(2) ?
O6 C16 C17 . . 120.7(3) ?
O4 C16 C17 . . 117.3(3) ?
O6 C16 La1 . . 60.64(14) ?
O4 C16 La1 . . 61.34(14) ?
C17 C16 La1 . . 178.3(2) ?
C18 C17 C30 . . 121.5(3) ?
C18 C17 C16 . . 118.8(3) ?
C30 C17 C16 . . 119.5(3) ?
C17 C18 C19 . . 123.1(3) ?
C17 C18 C23 . . 118.9(3) ?
C19 C18 C23 . . 118.0(3) ?
C20 C19 C18 . . 121.2(3) ?
C20 C19 H19A . . 119.4 ?
C18 C19 H19A . . 119.4 ?
C19 C20 C21 . . 120.6(4) ?
C19 C20 H20A . . 119.7 ?
C21 C20 H20A . . 119.7 ?
C22 C21 C20 . . 120.7(4) ?
C22 C21 H21A . . 119.7 ?
C20 C21 H21A . . 119.7 ?
C21 C22 C23 . . 121.4(4) ?
C21 C22 H22A . . 119.3 ?
C23 C22 H22A . . 119.3 ?
C24 C23 C22 . . 122.3(3) ?
C24 C23 C18 . . 119.4(3) ?
C22 C23 C18 . . 118.2(3) ?
C23 C24 C25 . . 122.2(3) ?
C23 C24 H24A . . 118.9 ?
C25 C24 H24A . . 118.9 ?
C24 C25 C26 . . 122.1(3) ?
C24 C25 C30 . . 119.0(3) ?
C26 C25 C30 . . 118.9(3) ?
C27 C26 C25 . . 120.8(3) ?
C27 C26 H26A . . 119.6 ?
C25 C26 H26A . . 119.6 ?
C26 C27 C28 . . 121.0(3) ?
C26 C27 H27A . . 119.5 ?
C28 C27 H27A . . 119.5 ?
C29 C28 C27 . . 120.7(3) ?
C29 C28 H28A . . 119.7 ?
C27 C28 H28A . . 119.7 ?
C28 C29 C30 . . 120.3(3) ?
C28 C29 H29A . . 119.8 ?
C30 C29 H29A . . 119.8 ?
C17 C30 C29 . . 122.9(3) ?
C17 C30 C25 . . 118.8(3) ?
C29 C30 C25 . . 118.3(3) ?
O5 C31 O1 2_666 . 124.4(3) ?
O5 C31 C32 2_666 . 117.3(2) ?
O1 C31 C32 . . 118.3(2) ?
C45 C32 C33 . . 120.7(3) ?
C45 C32 C31 . . 119.4(3) ?
C33 C32 C31 . . 119.9(2) ?
C32 C33 C34 . . 124.3(3) ?
C32 C33 C38 . . 119.1(3) ?
C34 C33 C38 . . 116.6(3) ?
C35 C34 C33 . . 121.4(3) ?
C35 C34 H34A . . 119.3 ?
C33 C34 H34A . . 119.3 ?
C34 C35 C36 . . 121.4(3) ?
C34 C35 H35A . . 119.3 ?
C36 C35 H35A . . 119.3 ?
C37 C36 C35 . . 119.1(3) ?
C37 C36 H36A . . 120.4 ?
C35 C36 H36A . . 120.4 ?
C36 C37 C38 . . 122.3(3) ?
C36 C37 H37A . . 118.8 ?
C38 C37 H37A . . 118.8 ?
C39 C38 C37 . . 121.7(3) ?
C39 C38 C33 . . 119.2(3) ?
C37 C38 C33 . . 119.1(3) ?
C40 C39 C38 . . 122.3(3) ?
C40 C39 H39A . . 118.9 ?
C38 C39 H39A . . 118.9 ?
C39 C40 C41 . . 120.3(3) ?
C39 C40 C45 . . 119.7(3) ?
C41 C40 C45 . . 119.9(3) ?
C42 C41 C40 . . 120.4(4) ?
C42 C41 H41A . . 119.8 ?
C40 C41 H41A . . 119.8 ?
C41 C42 C43 . . 120.2(4) ?
C41 C42 H42A . . 119.9 ?
C43 C42 H42A . . 119.9 ?
C44 C43 C42 . . 121.9(4) ?
C44 C43 H43A . . 119.1 ?
C42 C43 H43A . . 119.1 ?
C43 C44 C45 . . 121.1(3) ?
C43 C44 H44A . . 119.5 ?
C45 C44 H44A . . 119.5 ?
C32 C45 C44 . . 124.5(3) ?
C32 C45 C40 . . 119.0(3) ?
C44 C45 C40 . . 116.5(3) ?
N2 C46 C47 . . 123.7(3) ?
N2 C46 H46A . . 118.2 ?
C47 C46 H46A . . 118.2 ?
C48 C47 C46 . . 118.6(3) ?
C48 C47 H47A . . 120.7 ?
C46 C47 H47A . . 120.7 ?
C47 C48 C49 . . 119.2(3) ?
C47 C48 H48A . . 120.4 ?
C49 C48 H48A . . 120.4 ?
C48 C49 C50 . . 119.8(4) ?
C48 C49 H49A . . 120.1 ?
C50 C49 H49A . . 120.1 ?
N2 C50 C49 . . 121.2(3) ?
N2 C50 C51 . . 117.1(3) ?
C49 C50 C51 . . 121.7(3) ?
N1 C51 C52 . . 120.4(3) ?
N1 C51 C50 . . 117.1(3) ?
C52 C51 C50 . . 122.5(3) ?
C53 C52 C51 . . 119.9(4) ?
C53 C52 H52A . . 120.1 ?
C51 C52 H52A . . 120.1 ?
C54 C53 C52 . . 119.7(4) ?
C54 C53 H53A . . 120.2 ?
C52 C53 H53A . . 120.2 ?
C53 C54 C55 . . 118.3(4) ?
C53 C54 H54A . . 120.8 ?
C55 C54 H54A . . 120.8 ?
N1 C55 C54 . . 123.2(3) ?
N1 C55 H55A . . 118.4 ?
C54 C55 H55A . . 118.4 ?
C55 N1 C51 . . 118.5(3) ?
C55 N1 La1 . . 117.7(2) ?
C51 N1 La1 . . 123.5(2) ?
C46 N2 C50 . . 117.5(3) ?
C46 N2 La1 . . 119.7(2) ?
C50 N2 La1 . . 122.81(19) ?
C31 O1 La1 . . 137.62(17) ?
C1 O2 La1 . . 157.44(19) ?
C1 O2 La1 . 2_666 95.30(17) ?
La1 O2 La1 . 2_666 105.56(6) ?
C1 O3 La1 . 2_666 95.49(17) ?
C16 O4 La1 . . 92.64(16) ?
C31 O5 La1 2_666 . 141.40(18) ?
C16 O6 La1 . . 93.99(16) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
La1 O2 . 2.4561(18) yes
La1 O5 . 2.4574(19) yes
La1 O1 . 2.4974(18) yes
La1 O6 . 2.522(2) yes
La1 O4 . 2.535(2) yes
La1 O2 2_666 2.6750(19) yes
La1 O3 2_666 2.687(2) yes
La1 N1 . 2.730(2) yes
La1 N2 . 2.741(2) yes
La1 C16 . 2.886(3) ?
La1 C1 2_666 3.064(3) ?
La1 La1 2_666 4.0880(4) ?
C1 O3 . 1.238(3) ?
C1 O2 . 1.268(3) ?
C1 C2 . 1.508(4) ?
C1 La1 2_666 3.064(3) ?
C2 C15 . 1.400(4) ?
C2 C3 . 1.406(4) ?
C3 C4 . 1.421(5) ?
C3 C8 . 1.435(4) ?
C4 C5 . 1.358(5) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.411(7) ?
C5 H5A . 0.9300 ?
C6 C7 . 1.339(6) ?
C6 H6A . 0.9300 ?
C7 C8 . 1.430(5) ?
C7 H7A . 0.9300 ?
C8 C9 . 1.382(5) ?
C9 C10 . 1.392(5) ?
C9 H9A . 0.9300 ?
C10 C11 . 1.423(5) ?
C10 C15 . 1.434(4) ?
C11 C12 . 1.345(6) ?
C11 H11A . 0.9300 ?
C12 C13 . 1.406(6) ?
C12 H12A . 0.9300 ?
C13 C14 . 1.352(5) ?
C13 H13A . 0.9300 ?
C14 C15 . 1.419(4) ?
C14 H14A . 0.9300 ?
C16 O6 . 1.240(3) ?
C16 O4 . 1.267(3) ?
C16 C17 . 1.510(4) ?
C17 C18 . 1.403(4) ?
C17 C30 . 1.403(4) ?
C18 C19 . 1.414(5) ?
C18 C23 . 1.436(4) ?
C19 C20 . 1.355(5) ?
C19 H19A . 0.9300 ?
C20 C21 . 1.403(6) ?
C20 H20A . 0.9300 ?
C21 C22 . 1.333(6) ?
C21 H21A . 0.9300 ?
C22 C23 . 1.424(5) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.375(5) ?
C24 C25 . 1.405(4) ?
C24 H24A . 0.9300 ?
C25 C26 . 1.418(4) ?
C25 C30 . 1.433(4) ?
C26 C27 . 1.335(5) ?
C26 H26A . 0.9300 ?
C27 C28 . 1.419(5) ?
C27 H27A . 0.9300 ?
C28 C29 . 1.350(5) ?
C28 H28A . 0.9300 ?
C29 C30 . 1.429(4) ?
C29 H29A . 0.9300 ?
C31 O5 2_666 1.254(3) ?
C31 O1 . 1.270(3) ?
C31 C32 . 1.512(4) ?
C32 C45 . 1.411(4) ?
C32 C33 . 1.416(4) ?
C33 C34 . 1.426(4) ?
C33 C38 . 1.439(4) ?
C34 C35 . 1.360(4) ?
C34 H34A . 0.9300 ?
C35 C36 . 1.413(5) ?
C35 H35A . 0.9300 ?
C36 C37 . 1.334(5) ?
C36 H36A . 0.9300 ?
C37 C38 . 1.423(5) ?
C37 H37A . 0.9300 ?
C38 C39 . 1.388(5) ?
C39 C40 . 1.383(5) ?
C39 H39A . 0.9300 ?
C40 C41 . 1.432(5) ?
C40 C45 . 1.433(4) ?
C41 C42 . 1.350(6) ?
C41 H41A . 0.9300 ?
C42 C43 . 1.389(6) ?
C42 H42A . 0.9300 ?
C43 C44 . 1.358(5) ?
C43 H43A . 0.9300 ?
C44 C45 . 1.432(4) ?
C44 H44A . 0.9300 ?
C46 N2 . 1.334(4) ?
C46 C47 . 1.378(5) ?
C46 H46A . 0.9300 ?
C47 C48 . 1.355(5) ?
C47 H47A . 0.9300 ?
C48 C49 . 1.371(5) ?
C48 H48A . 0.9300 ?
C49 C50 . 1.386(4) ?
C49 H49A . 0.9300 ?
C50 N2 . 1.350(4) ?
C50 C51 . 1.481(4) ?
C51 N1 . 1.341(4) ?
C51 C52 . 1.391(5) ?
C52 C53 . 1.366(6) ?
C52 H52A . 0.9300 ?
C53 C54 . 1.353(6) ?
C53 H53A . 0.9300 ?
C54 C55 . 1.376(5) ?
C54 H54A . 0.9300 ?
C55 N1 . 1.336(4) ?
C55 H55A . 0.9300 ?
O2 La1 2_666 2.6750(19) ?
O3 La1 2_666 2.687(2) ?
O5 C31 2_666 1.254(3) ?
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O3 C1 C2 C15 . . -92.3(4)
O2 C1 C2 C15 . . 87.7(3)
O3 C1 C2 C3 . . 88.3(4)
O2 C1 C2 C3 . . -91.8(3)
C15 C2 C3 C4 . . -178.7(3)
C1 C2 C3 C4 . . 0.8(4)
C15 C2 C3 C8 . . 0.4(4)
C1 C2 C3 C8 . . 179.9(3)
C2 C3 C4 C5 . . 178.7(3)
C8 C3 C4 C5 . . -0.4(5)
C3 C4 C5 C6 . . 0.8(6)
C4 C5 C6 C7 . . -0.3(7)
C5 C6 C7 C8 . . -0.6(7)
C6 C7 C8 C9 . . -179.2(4)
C6 C7 C8 C3 . . 0.9(6)
C2 C3 C8 C9 . . 0.5(4)
C4 C3 C8 C9 . . 179.7(3)
C2 C3 C8 C7 . . -179.6(3)
C4 C3 C8 C7 . . -0.5(4)
C7 C8 C9 C10 . . 179.3(3)
C3 C8 C9 C10 . . -0.9(5)
C8 C9 C10 C11 . . 178.5(3)
C8 C9 C10 C15 . . 0.2(5)
C9 C10 C11 C12 . . -179.6(3)
C15 C10 C11 C12 . . -1.3(5)
C10 C11 C12 C13 . . -0.2(6)
C11 C12 C13 C14 . . 1.2(6)
C12 C13 C14 C15 . . -0.6(5)
C3 C2 C15 C14 . . 179.6(3)
C1 C2 C15 C14 . . 0.1(4)
C3 C2 C15 C10 . . -1.1(4)
C1 C2 C15 C10 . . 179.5(2)
C13 C14 C15 C2 . . 178.5(3)
C13 C14 C15 C10 . . -0.8(4)
C9 C10 C15 C2 . . 0.8(4)
C11 C10 C15 C2 . . -177.6(3)
C9 C10 C15 C14 . . -179.9(3)
C11 C10 C15 C14 . . 1.8(4)
O2 La1 C16 O6 . . 90.1(4)
O5 La1 C16 O6 . . -29.0(2)
O1 La1 C16 O6 . . 172.30(19)
O4 La1 C16 O6 . . 179.9(3)
O2 La1 C16 O6 2_666 . -109.4(2)
O3 La1 C16 O6 2_666 . -95.9(2)
N1 La1 C16 O6 . . 104.0(2)
N2 La1 C16 O6 . . 46.6(2)
C1 La1 C16 O6 2_666 . -104.1(2)
La1 La1 C16 O6 2_666 . -114.7(2)
O2 La1 C16 O4 . . -89.8(4)
O5 La1 C16 O4 . . 151.05(17)
O1 La1 C16 O4 . . -7.62(19)
O6 La1 C16 O4 . . -179.9(3)
O2 La1 C16 O4 2_666 . 70.66(19)
O3 La1 C16 O4 2_666 . 84.21(18)
N1 La1 C16 O4 . . -75.91(18)
N2 La1 C16 O4 . . -133.33(18)
C1 La1 C16 O4 2_666 . 75.96(18)
La1 La1 C16 O4 2_666 . 65.3(2)
O6 C16 C17 C18 . . -84.6(4)
O4 C16 C17 C18 . . 94.2(3)
O6 C16 C17 C30 . . 99.8(4)
O4 C16 C17 C30 . . -81.4(4)
C30 C17 C18 C19 . . -177.4(3)
C16 C17 C18 C19 . . 7.1(5)
C30 C17 C18 C23 . . 3.7(4)
C16 C17 C18 C23 . . -171.8(3)
C17 C18 C19 C20 . . -179.6(4)
C23 C18 C19 C20 . . -0.7(6)
C18 C19 C20 C21 . . 1.4(7)
C19 C20 C21 C22 . . -1.2(8)
C20 C21 C22 C23 . . 0.2(7)
C21 C22 C23 C24 . . 179.6(4)
C21 C22 C23 C18 . . 0.5(6)
C17 C18 C23 C24 . . -0.4(5)
C19 C18 C23 C24 . . -179.4(3)
C17 C18 C23 C22 . . 178.7(3)
C19 C18 C23 C22 . . -0.3(5)
C22 C23 C24 C25 . . 178.2(3)
C18 C23 C24 C25 . . -2.7(5)
C23 C24 C25 C26 . . -179.3(3)
C23 C24 C25 C30 . . 2.6(4)
C24 C25 C26 C27 . . -179.1(3)
C30 C25 C26 C27 . . -1.0(5)
C25 C26 C27 C28 . . -0.8(6)
C26 C27 C28 C29 . . 2.1(6)
C27 C28 C29 C30 . . -1.4(5)
C18 C17 C30 C29 . . 177.2(3)
C16 C17 C30 C29 . . -7.4(4)
C18 C17 C30 C25 . . -3.8(4)
C16 C17 C30 C25 . . 171.7(3)
C28 C29 C30 C17 . . 178.7(3)
C28 C29 C30 C25 . . -0.4(5)
C24 C25 C30 C17 . . 0.6(4)
C26 C25 C30 C17 . . -177.5(3)
C24 C25 C30 C29 . . 179.7(3)
C26 C25 C30 C29 . . 1.6(4)
O5 C31 C32 C45 2_666 . 42.2(4)
O1 C31 C32 C45 . . -137.0(3)
O5 C31 C32 C33 2_666 . -138.0(3)
O1 C31 C32 C33 . . 42.8(4)
C45 C32 C33 C34 . . -179.2(3)
C31 C32 C33 C34 . . 0.9(4)
C45 C32 C33 C38 . . -0.4(4)
C31 C32 C33 C38 . . 179.8(3)
C32 C33 C34 C35 . . -179.5(3)
C38 C33 C34 C35 . . 1.6(5)
C33 C34 C35 C36 . . 0.4(5)
C34 C35 C36 C37 . . -1.6(5)
C35 C36 C37 C38 . . 0.8(6)
C36 C37 C38 C39 . . 179.4(3)
C36 C37 C38 C33 . . 1.3(5)
C32 C33 C38 C39 . . 0.5(4)
C34 C33 C38 C39 . . 179.4(3)
C32 C33 C38 C37 . . 178.6(3)
C34 C33 C38 C37 . . -2.4(4)
C37 C38 C39 C40 . . -178.0(3)
C33 C38 C39 C40 . . 0.1(5)
C38 C39 C40 C41 . . 178.9(3)
C38 C39 C40 C45 . . -0.8(5)
C39 C40 C41 C42 . . -179.4(4)
C45 C40 C41 C42 . . 0.3(6)
C40 C41 C42 C43 . . 0.5(7)
C41 C42 C43 C44 . . -0.6(7)
C42 C43 C44 C45 . . 0.0(6)
C33 C32 C45 C44 . . -178.0(3)
C31 C32 C45 C44 . . 1.8(4)
C33 C32 C45 C40 . . -0.2(4)
C31 C32 C45 C40 . . 179.6(3)
C43 C44 C45 C32 . . 178.6(3)
C43 C44 C45 C40 . . 0.8(5)
C39 C40 C45 C32 . . 0.8(5)
C41 C40 C45 C32 . . -178.9(3)
C39 C40 C45 C44 . . 178.8(3)
C41 C40 C45 C44 . . -0.9(5)
N2 C46 C47 C48 . . -0.7(5)
C46 C47 C48 C49 . . 1.5(6)
C47 C48 C49 C50 . . -1.4(6)
C48 C49 C50 N2 . . 0.3(5)
C48 C49 C50 C51 . . -179.6(3)
N2 C50 C51 N1 . . 3.2(4)
C49 C50 C51 N1 . . -176.9(3)
N2 C50 C51 C52 . . -175.9(3)
C49 C50 C51 C52 . . 4.0(5)
N1 C51 C52 C53 . . -0.5(6)
C50 C51 C52 C53 . . 178.5(4)
C51 C52 C53 C54 . . 0.7(7)
C52 C53 C54 C55 . . -0.6(7)
C53 C54 C55 N1 . . 0.1(6)
C54 C55 N1 C51 . . 0.1(5)
C54 C55 N1 La1 . . -173.1(3)
C52 C51 N1 C55 . . 0.1(5)
C50 C51 N1 C55 . . -179.0(3)
C52 C51 N1 La1 . . 172.9(3)
C50 C51 N1 La1 . . -6.2(4)
O2 La1 N1 C55 . . -107.2(2)
O5 La1 N1 C55 . . -174.87(19)
O1 La1 N1 C55 . . -35.3(2)
O6 La1 N1 C55 . . 100.5(2)
O4 La1 N1 C55 . . 49.1(2)
O2 La1 N1 C55 2_666 . -43.2(3)
O3 La1 N1 C55 2_666 . 44.1(3)
N2 La1 N1 C55 . . 177.6(2)
C16 La1 N1 C55 . . 75.7(2)
C1 La1 N1 C55 2_666 . 3.2(3)
La1 La1 N1 C55 2_666 . -83.8(2)
O2 La1 N1 C51 . . 79.9(2)
O5 La1 N1 C51 . . 12.2(3)
O1 La1 N1 C51 . . 151.8(2)
O6 La1 N1 C51 . . -72.4(2)
O4 La1 N1 C51 . . -123.8(2)
O2 La1 N1 C51 2_666 . 143.9(2)
O3 La1 N1 C51 2_666 . -128.8(2)
N2 La1 N1 C51 . . 4.7(2)
C16 La1 N1 C51 . . -97.2(2)
C1 La1 N1 C51 2_666 . -169.7(2)
La1 La1 N1 C51 2_666 . 103.3(2)
C47 C46 N2 C50 . . -0.3(5)
C47 C46 N2 La1 . . 179.0(3)
C49 C50 N2 C46 . . 0.5(4)
C51 C50 N2 C46 . . -179.6(3)
C49 C50 N2 La1 . . -178.8(2)
C51 C50 N2 La1 . . 1.1(3)
O2 La1 N2 C46 . . 78.9(2)
O5 La1 N2 C46 . . 3.4(2)
O1 La1 N2 C46 . . 139.4(2)
O6 La1 N2 C46 . . -91.0(2)
O4 La1 N2 C46 . . -129.7(2)
O2 La1 N2 C46 2_666 . 34.3(3)
O3 La1 N2 C46 2_666 . -45.9(3)
N1 La1 N2 C46 . . 177.9(2)
C16 La1 N2 C46 . . -109.8(2)
C1 La1 N2 C46 2_666 . -7.6(3)
La1 La1 N2 C46 2_666 . 61.0(2)
O2 La1 N2 C50 . . -101.9(2)
O5 La1 N2 C50 . . -177.3(2)
O1 La1 N2 C50 . . -41.3(2)
O6 La1 N2 C50 . . 88.2(2)
O4 La1 N2 C50 . . 49.6(2)
O2 La1 N2 C50 2_666 . -146.37(19)
O3 La1 N2 C50 2_666 . 133.4(2)
N1 La1 N2 C50 . . -2.8(2)
C16 La1 N2 C50 . . 69.5(2)
C1 La1 N2 C50 2_666 . 171.70(19)
La1 La1 N2 C50 2_666 . -119.8(2)
O5 C31 O1 La1 2_666 . -10.6(5)
C32 C31 O1 La1 . . 168.53(18)
O2 La1 O1 C31 . . -35.7(3)
O5 La1 O1 C31 . . 5.8(3)
O6 La1 O1 C31 . . 161.4(3)
O4 La1 O1 C31 . . 153.7(3)
O2 La1 O1 C31 2_666 . 42.8(3)
O3 La1 O1 C31 2_666 . 84.8(3)
N1 La1 O1 C31 . . -132.6(3)
N2 La1 O1 C31 . . -98.6(3)
C16 La1 O1 C31 . . 157.1(3)
C1 La1 O1 C31 2_666 . 65.4(3)
La1 La1 O1 C31 2_666 . 5.5(3)
O3 C1 O2 La1 . . 149.3(4)
C2 C1 O2 La1 . . -30.6(6)
La1 C1 O2 La1 2_666 . 157.7(5)
O3 C1 O2 La1 . 2_666 -8.4(3)
C2 C1 O2 La1 . 2_666 171.7(2)
O5 La1 O2 C1 . . 128.1(5)
O1 La1 O2 C1 . . -80.7(5)
O6 La1 O2 C1 . . 71.0(5)
O4 La1 O2 C1 . . -61.1(5)
O2 La1 O2 C1 2_666 . -156.9(5)
O3 La1 O2 C1 2_666 . -168.3(5)
N1 La1 O2 C1 . . -8.4(5)
N2 La1 O2 C1 . . 49.7(5)
C16 La1 O2 C1 . . 5.1(7)
C1 La1 O2 C1 2_666 . -160.5(4)
La1 La1 O2 C1 2_666 . -156.9(5)
O5 La1 O2 La1 . 2_666 -74.97(7)
O1 La1 O2 La1 . 2_666 76.26(7)
O6 La1 O2 La1 . 2_666 -132.12(15)
O4 La1 O2 La1 . 2_666 95.82(15)
O2 La1 O2 La1 2_666 2_666 0.0
O3 La1 O2 La1 2_666 2_666 -11.37(11)
N1 La1 O2 La1 . 2_666 148.51(8)
N2 La1 O2 La1 . 2_666 -153.33(9)
C16 La1 O2 La1 . 2_666 162.1(3)
C1 La1 O2 La1 2_666 2_666 -3.61(8)
O2 C1 O3 La1 . 2_666 8.3(3)
C2 C1 O3 La1 . 2_666 -171.7(2)
O6 C16 O4 La1 . . -0.1(3)
C17 C16 O4 La1 . . -178.8(2)
O2 La1 O4 C16 . . 153.53(17)
O5 La1 O4 C16 . . -39.0(2)
O1 La1 O4 C16 . . 172.54(19)
O6 La1 O4 C16 . . 0.04(17)
O2 La1 O4 C16 2_666 . -119.02(18)
O3 La1 O4 C16 2_666 . -86.61(18)
N1 La1 O4 C16 . . 96.65(18)
N2 La1 O4 C16 . . 50.78(19)
C1 La1 O4 C16 2_666 . -104.14(18)
La1 La1 O4 C16 2_666 . -143.20(15)
O2 La1 O5 C31 . 2_666 46.3(3)
O1 La1 O5 C31 . 2_666 4.8(3)
O6 La1 O5 C31 . 2_666 -156.9(3)
O4 La1 O5 C31 . 2_666 -127.5(3)
O2 La1 O5 C31 2_666 2_666 -32.5(3)
O3 La1 O5 C31 2_666 2_666 -81.9(3)
N1 La1 O5 C31 . 2_666 121.3(3)
N2 La1 O5 C31 . 2_666 128.0(3)
C16 La1 O5 C31 . 2_666 -144.9(3)
C1 La1 O5 C31 2_666 2_666 -57.7(3)
La1 La1 O5 C31 2_666 2_666 5.1(3)
O4 C16 O6 La1 . . 0.1(3)
C17 C16 O6 La1 . . 178.8(2)
O2 La1 O6 C16 . . -152.95(17)
O5 La1 O6 C16 . . 153.5(2)
O1 La1 O6 C16 . . -9.8(2)
O4 La1 O6 C16 . . -0.04(17)
O2 La1 O6 C16 2_666 . 85.2(2)
O3 La1 O6 C16 2_666 . 76.5(2)
N1 La1 O6 C16 . . -71.6(2)
N2 La1 O6 C16 . . -131.5(2)
C1 La1 O6 C16 2_666 . 78.7(2)
La1 La1 O6 C16 2_666 . 115.99(18)
loop_
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1 PubChem 139074156
