#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:31:51 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185256 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/58/7225864.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_7225864
loop_
_publ_author_name
'Li, Rui'
'Qu, Xiang-Long'
'Zhang, Yi-Hua'
'Han, Hong-Liang'
'Li, Xia'
_publ_section_title
;
 Lanthanide--organic frameworks constructed from naphthalenedisulfonates:
 structure, luminescence and luminescence sensing properties
;
_journal_issue                   31
_journal_name_full               CrystEngComm
_journal_page_first              5890
_journal_paper_doi               10.1039/C6CE01028H
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C35 H24 La N4 O9 S2'
_chemical_formula_weight         847.61
_chemical_name_systematic
; 
 ? 
;
_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
_audit_update_record
;
2016-04-21 deposited with the CCDC.
2016-06-22 downloaded from the CCDC.
;
_cell_angle_alpha                108.240(2)
_cell_angle_beta                 91.419(2)
_cell_angle_gamma                113.675(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2382(12)
_cell_length_b                   11.7405(11)
_cell_length_c                   14.0474(13)
_cell_measurement_reflns_used    1542
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      25.25
_cell_measurement_theta_min      2.01
_cell_volume                     1587.9(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      294(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'phi and omega 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  0.0348
_diffrn_reflns_av_sigmaI/netI    0.0752
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8255
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    1.543
_exptl_absorpt_correction_T_max  0.8865
_exptl_absorpt_correction_T_min  0.7903
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.773
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             846
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.635
_refine_diff_density_min         -0.620
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         5682
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0411
_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)+(0.0296P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0782
_refine_ls_wR_factor_ref         0.0833
_reflns_number_gt                4808
_reflns_number_total             5682
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ce01028h2.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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 7225860--7225866.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7225864
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
C1 C 0.5750(5) 0.7189(5) 0.1075(4) 0.0330(12) Uani 1 1 d .
H1 H 0.5326 0.6332 0.1087 0.040 Uiso 1 1 calc R
C2 C 0.4967(5) 0.7798(5) 0.0906(4) 0.0382(13) Uani 1 1 d .
H2 H 0.4052 0.7357 0.0802 0.046 Uiso 1 1 calc R
C3 C 0.5578(5) 0.9054(5) 0.0899(4) 0.0382(13) Uani 1 1 d .
H3 H 0.5076 0.9486 0.0799 0.046 Uiso 1 1 calc R
C4 C 0.6955(5) 0.9708(5) 0.1040(3) 0.0296(11) Uani 1 1 d .
C5 C 0.7638(6) 1.1010(5) 0.1012(4) 0.0385(13) Uani 1 1 d .
H5 H 0.7166 1.1477 0.0930 0.046 Uiso 1 1 calc R
C6 C 0.8944(6) 1.1567(5) 0.1102(4) 0.0360(13) Uani 1 1 d .
H6 H 0.9372 1.2421 0.1085 0.043 Uiso 1 1 calc R
C7 C 0.9706(5) 1.0879(4) 0.1225(3) 0.0290(12) Uani 1 1 d .
C8 C 1.1079(5) 1.1421(5) 0.1280(3) 0.0326(12) Uani 1 1 d .
H8 H 1.1535 1.2265 0.1252 0.039 Uiso 1 1 calc R
C9 C 1.1735(5) 1.0701(5) 0.1375(3) 0.0328(12) Uani 1 1 d .
H9 H 1.2642 1.1035 0.1388 0.039 Uiso 1 1 calc R
C10 C 1.1039(5) 0.9454(4) 0.1453(3) 0.0277(11) Uani 1 1 d .
H10 H 1.1501 0.8975 0.1524 0.033 Uiso 1 1 calc R
C11 C 0.9073(5) 0.9609(4) 0.1288(3) 0.0233(10) Uani 1 1 d .
C12 C 0.7662(5) 0.9002(4) 0.1182(3) 0.0231(10) Uani 1 1 d .
C13 C 0.8338(5) 0.9074(5) 0.3638(4) 0.0405(14) Uani 1 1 d .
H13 H 0.8284 0.9369 0.3104 0.049 Uiso 1 1 calc R
C14 C 0.8350(6) 0.9870(5) 0.4608(4) 0.0461(15) Uani 1 1 d .
H14 H 0.8333 1.0686 0.4713 0.055 Uiso 1 1 calc R
C15 C 0.8385(6) 0.9454(6) 0.5405(4) 0.0500(16) Uani 1 1 d .
H15 H 0.8365 0.9963 0.6056 0.060 Uiso 1 1 calc R
C16 C 0.8451(5) 0.8252(6) 0.5223(4) 0.0422(14) Uani 1 1 d .
C17 C 0.8504(6) 0.7744(6) 0.6022(4) 0.0523(17) Uani 1 1 d .
H17 H 0.8516 0.8244 0.6685 0.063 Uiso 1 1 calc R
C18 C 0.8537(6) 0.6586(6) 0.5838(4) 0.0498(16) Uani 1 1 d .
H18 H 0.8585 0.6294 0.6375 0.060 Uiso 1 1 calc R
C19 C 0.8500(5) 0.5770(5) 0.4830(4) 0.0354(13) Uani 1 1 d .
C20 C 0.8479(5) 0.4511(5) 0.4588(4) 0.0399(14) Uani 1 1 d .
H20 H 0.8508 0.4176 0.5102 0.048 Uiso 1 1 calc R
C21 C 0.8417(5) 0.3778(5) 0.3617(4) 0.0399(14) Uani 1 1 d .
H21 H 0.8392 0.2936 0.3453 0.048 Uiso 1 1 calc R
C22 C 0.8393(5) 0.4315(5) 0.2868(4) 0.0319(12) Uani 1 1 d .
H22 H 0.8349 0.3806 0.2199 0.038 Uiso 1 1 calc R
C23 C 0.8465(4) 0.6227(5) 0.4017(3) 0.0254(11) Uani 1 1 d .
C24 C 0.8440(5) 0.7481(5) 0.4222(3) 0.0285(11) Uani 1 1 d .
C25 C 0.5042(5) 0.5751(5) 0.3507(4) 0.0398(14) Uani 1 1 d .
H25 H 0.5038 0.6200 0.3067 0.048 Uiso 1 1 calc R
C26 C 0.5107(5) 0.4528(5) 0.3139(3) 0.0260(11) Uani 1 1 d .
C27 C 0.5090(5) 0.3853(5) 0.3770(4) 0.0307(12) Uani 1 1 d .
H27 H 0.5124 0.3036 0.3515 0.037 Uiso 1 1 calc R
C28 C 0.5020(5) 0.4375(4) 0.4813(3) 0.0282(11) Uani 1 1 d .
C29 C 0.5015(5) 0.3715(5) 0.5498(4) 0.0394(14) Uani 1 1 d .
H29 H 0.5051 0.2898 0.5263 0.047 Uiso 1 1 calc R
C30 C 1.3487(5) 0.8402(4) 0.4514(3) 0.0267(11) Uani 1 1 d .
H30 H 1.2953 0.7741 0.4747 0.032 Uiso 1 1 calc R
C31 C 1.3186(4) 0.8292(4) 0.3539(3) 0.0241(11) Uani 1 1 d .
C32 C 1.3972(5) 0.9283(5) 0.3177(3) 0.0317(12) Uani 1 1 d .
H32 H 1.3753 0.9209 0.2510 0.038 Uiso 1 1 calc R
C33 C 1.5051(5) 1.0352(5) 0.3793(4) 0.0329(12) Uani 1 1 d .
H33 H 1.5569 1.1000 0.3542 0.039 Uiso 1 1 calc R
C34 C 1.5401(5) 1.0495(4) 0.4818(3) 0.0265(11) Uani 1 1 d .
C35 C 0.9628(4) 0.4367(4) 0.0123(3) 0.0233(11) Uani 1 1 d .
La1 La 0.85054(3) 0.64306(2) 0.150997(19) 0.01808(9) Uani 1 1 d .
N1 N 0.7056(4) 0.7746(4) 0.1220(3) 0.0258(9) Uani 1 1 d .
N2 N 0.9745(4) 0.8925(3) 0.1429(3) 0.0236(9) Uani 1 1 d .
N3 N 0.8400(4) 0.7928(4) 0.3428(3) 0.0265(9) Uani 1 1 d .
N4 N 0.8429(4) 0.5497(4) 0.3046(3) 0.0246(9) Uani 1 1 d .
O1 O 0.6203(3) 0.4939(3) 0.1608(2) 0.0328(8) Uani 1 1 d .
O2 O 0.5454(4) 0.2728(3) 0.1701(2) 0.0386(9) Uani 1 1 d .
O3 O 0.3899(3) 0.3511(3) 0.1287(2) 0.0376(9) Uani 1 1 d .
O4 O 1.0820(3) 0.7381(3) 0.2566(2) 0.0283(8) Uani 1 1 d .
O5 O 1.1371(3) 0.5946(3) 0.3234(3) 0.0412(9) Uani 1 1 d .
O6 O 1.2256(3) 0.6445(3) 0.1782(2) 0.0398(9) Uani 1 1 d .
O7 O 0.8812(3) 0.4399(3) 0.0725(2) 0.0305(8) Uani 1 1 d .
O8 O 0.9866(3) 0.3406(3) -0.0299(2) 0.0275(8) Uani 1 1 d .
O9 O 0.7300(4) 0.5478(4) -0.0334(2) 0.0363(9) Uani 1 1 d D
H9A H 0.687(5) 0.578(5) -0.060(3) 0.055 Uiso 1 1 d D
H9B H 0.752(5) 0.582(5) 0.0283(15) 0.055 Uiso 1 1 d D
S1 S 0.51770(11) 0.38514(12) 0.18298(9) 0.0261(3) Uani 1 1 d .
S2 S 1.17910(12) 0.68784(11) 0.27145(9) 0.0263(3) Uani 1 1 d .
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'
S S 0.1246 0.1234 '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
N1 C1 C2 124.5(5) . .
N1 C1 H1 117.7 . .
C2 C1 H1 117.7 . .
C3 C2 C1 118.2(5) . .
C3 C2 H2 120.9 . .
C1 C2 H2 120.9 . .
C2 C3 C4 120.8(5) . .
C2 C3 H3 119.6 . .
C4 C3 H3 119.6 . .
C3 C4 C12 117.0(4) . .
C3 C4 C5 122.9(5) . .
C12 C4 C5 120.1(5) . .
C6 C5 C4 120.7(5) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C5 C6 C7 121.3(5) . .
C5 C6 H6 119.3 . .
C7 C6 H6 119.3 . .
C8 C7 C11 117.7(5) . .
C8 C7 C6 122.5(4) . .
C11 C7 C6 119.7(5) . .
C9 C8 C7 119.4(4) . .
C9 C8 H8 120.3 . .
C7 C8 H8 120.3 . .
C8 C9 C10 119.4(5) . .
C8 C9 H9 120.3 . .
C10 C9 H9 120.3 . .
N2 C10 C9 122.8(5) . .
N2 C10 H10 118.6 . .
C9 C10 H10 118.6 . .
N2 C11 C7 122.3(4) . .
N2 C11 C12 118.7(4) . .
C7 C11 C12 119.0(4) . .
N1 C12 C4 122.6(4) . .
N1 C12 C11 118.3(4) . .
C4 C12 C11 119.1(4) . .
N3 C13 C14 124.0(5) . .
N3 C13 H13 118.0 . .
C14 C13 H13 118.0 . .
C15 C14 C13 119.7(5) . .
C15 C14 H14 120.1 . .
C13 C14 H14 120.1 . .
C14 C15 C16 118.4(5) . .
C14 C15 H15 120.8 . .
C16 C15 H15 120.8 . .
C15 C16 C24 119.5(5) . .
C15 C16 C17 122.1(5) . .
C24 C16 C17 118.4(5) . .
C18 C17 C16 121.7(5) . .
C18 C17 H17 119.2 . .
C16 C17 H17 119.2 . .
C17 C18 C19 121.3(5) . .
C17 C18 H18 119.3 . .
C19 C18 H18 119.3 . .
C20 C19 C23 116.9(5) . .
C20 C19 C18 123.6(5) . .
C23 C19 C18 119.5(5) . .
C21 C20 C19 120.7(5) . .
C21 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C20 C21 C22 118.2(5) . .
C20 C21 H21 120.9 . .
C22 C21 H21 120.9 . .
N4 C22 C21 124.1(5) . .
N4 C22 H22 118.0 . .
C21 C22 H22 118.0 . .
N4 C23 C19 122.1(4) . .
N4 C23 C24 119.0(4) . .
C19 C23 C24 118.9(4) . .
N3 C24 C16 120.7(5) . .
N3 C24 C23 119.1(4) . .
C16 C24 C23 120.2(4) . .
C29 C25 C26 120.3(5) 2_666 .
C29 C25 H25 119.9 2_666 .
C26 C25 H25 119.9 . .
C27 C26 C25 120.3(4) . .
C27 C26 S1 120.4(4) . .
C25 C26 S1 119.3(4) . .
C26 C27 C28 121.0(4) . .
C26 C27 H27 119.5 . .
C28 C27 H27 119.5 . .
C29 C28 C28 118.5(5) . 2_666
C29 C28 C27 122.9(4) . .
C28 C28 C27 118.6(5) 2_666 .
C25 C29 C28 121.3(5) 2_666 .
C25 C29 H29 119.4 2_666 .
C28 C29 H29 119.4 . .
C31 C30 C34 121.1(4) . 2_876
C31 C30 H30 119.4 . .
C34 C30 H30 119.4 2_876 .
C30 C31 C32 120.2(4) . .
C30 C31 S2 119.9(4) . .
C32 C31 S2 119.9(3) . .
C33 C32 C31 120.3(4) . .
C33 C32 H32 119.8 . .
C31 C32 H32 119.8 . .
C32 C33 C34 120.9(4) . .
C32 C33 H33 119.5 . .
C34 C33 H33 119.5 . .
C34 C34 C30 118.9(5) 2_876 2_876
C34 C34 C33 118.5(5) 2_876 .
C30 C34 C33 122.6(4) 2_876 .
O8 C35 O7 126.1(4) . .
O8 C35 C35 116.8(5) . 2_765
O7 C35 C35 117.0(5) . 2_765
O7 La1 O1 87.01(11) . .
O7 La1 O8 64.84(9) . 2_765
O1 La1 O8 140.32(10) . 2_765
O7 La1 O9 75.51(11) . .
O1 La1 O9 76.91(11) . .
O8 La1 O9 69.57(11) 2_765 .
O7 La1 O4 85.61(11) . .
O1 La1 O4 135.77(10) . .
O8 La1 O4 72.29(10) 2_765 .
O9 La1 O4 141.71(11) . .
O7 La1 N4 77.09(11) . .
O1 La1 N4 67.38(11) . .
O8 La1 N4 126.44(11) 2_765 .
O9 La1 N4 135.60(12) . .
O4 La1 N4 68.45(10) . .
O7 La1 N2 131.83(10) . .
O1 La1 N2 135.84(11) . .
O8 La1 N2 67.17(10) 2_765 .
O9 La1 N2 91.87(11) . .
O4 La1 N2 76.24(10) . .
N4 La1 N2 132.18(11) . .
O7 La1 N1 142.54(11) . .
O1 La1 N1 76.59(11) . .
O8 La1 N1 108.51(10) 2_765 .
O9 La1 N1 68.11(11) . .
O4 La1 N1 129.20(10) . .
N4 La1 N1 124.34(11) . .
N2 La1 N1 59.77(11) . .
O7 La1 N3 137.18(10) . .
O1 La1 N3 82.40(11) . .
O8 La1 N3 137.26(11) 2_765 .
O9 La1 N3 140.19(11) . .
O4 La1 N3 74.14(11) . .
N4 La1 N3 60.52(11) . .
N2 La1 N3 79.80(11) . .
N1 La1 N3 74.23(11) . .
O7 La1 H9B 80.5(14) . .
O1 La1 H9B 72.6(17) . .
O8 La1 H9B 75.5(17) 2_765 .
O9 La1 H9B 6.6(16) . .
O4 La1 H9B 147.7(17) . .
N4 La1 H9B 134.7(17) . .
N2 La1 H9B 91.6(16) . .
N1 La1 H9B 62.6(14) . .
N3 La1 H9B 133.7(15) . .
C1 N1 C12 116.8(4) . .
C1 N1 La1 122.1(3) . .
C12 N1 La1 121.0(3) . .
C10 N2 C11 118.2(4) . .
C10 N2 La1 119.4(3) . .
C11 N2 La1 122.3(3) . .
C13 N3 C24 117.5(4) . .
C13 N3 La1 123.3(3) . .
C24 N3 La1 119.1(3) . .
C22 N4 C23 118.0(4) . .
C22 N4 La1 119.9(3) . .
C23 N4 La1 122.1(3) . .
S1 O1 La1 156.6(2) . .
S2 O4 La1 136.74(18) . .
C35 O7 La1 121.1(3) . .
C35 O8 La1 120.2(3) . 2_765
La1 O9 H9A 128(3) . .
La1 O9 H9B 15(4) . .
H9A O9 H9B 116(3) . .
O2 S1 O3 113.6(2) . .
O2 S1 O1 114.4(2) . .
O3 S1 O1 110.13(19) . .
O2 S1 C26 107.3(2) . .
O3 S1 C26 105.3(2) . .
O1 S1 C26 105.3(2) . .
O5 S2 O6 114.9(2) . .
O5 S2 O4 113.4(2) . .
O6 S2 O4 111.19(19) . .
O5 S2 C31 106.0(2) . .
O6 S2 C31 105.1(2) . .
O4 S2 C31 105.1(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.325(6) .
C1 C2 1.394(7) .
C1 H1 0.9300 .
C2 C3 1.358(7) .
C2 H2 0.9300 .
C3 C4 1.399(7) .
C3 H3 0.9300 .
C4 C12 1.409(6) .
C4 C5 1.422(6) .
C5 C6 1.329(7) .
C5 H5 0.9300 .
C6 C7 1.431(7) .
C6 H6 0.9300 .
C7 C8 1.402(7) .
C7 C11 1.404(6) .
C8 C9 1.358(7) .
C8 H8 0.9300 .
C9 C10 1.397(6) .
C9 H9 0.9300 .
C10 N2 1.327(6) .
C10 H10 0.9300 .
C11 N2 1.354(6) .
C11 C12 1.434(6) .
C12 N1 1.373(5) .
C13 N3 1.315(6) .
C13 C14 1.386(7) .
C13 H13 0.9300 .
C14 C15 1.360(7) .
C14 H14 0.9300 .
C15 C16 1.386(8) .
C15 H15 0.9300 .
C16 C24 1.411(6) .
C16 C17 1.436(7) .
C17 C18 1.318(8) .
C17 H17 0.9300 .
C18 C19 1.428(7) .
C18 H18 0.9300 .
C19 C20 1.400(7) .
C19 C23 1.410(6) .
C20 C21 1.348(7) .
C20 H20 0.9300 .
C21 C22 1.390(6) .
C21 H21 0.9300 .
C22 N4 1.315(6) .
C22 H22 0.9300 .
C23 N4 1.354(5) .
C23 C24 1.422(6) .
C24 N3 1.379(6) .
C25 C29 1.356(7) 2_666
C25 C26 1.398(7) .
C25 H25 0.9300 .
C26 C27 1.358(6) .
C26 S1 1.778(5) .
C27 C28 1.417(6) .
C27 H27 0.9300 .
C28 C29 1.411(6) .
C28 C28 1.415(9) 2_666
C29 C25 1.356(7) 2_666
C29 H29 0.9300 .
C30 C31 1.355(6) .
C30 C34 1.415(6) 2_876
C30 H30 0.9300 .
C31 C32 1.400(6) .
C31 S2 1.781(4) .
C32 C33 1.356(6) .
C32 H32 0.9300 .
C33 C34 1.422(6) .
C33 H33 0.9300 .
C34 C34 1.406(9) 2_876
C34 C30 1.415(6) 2_876
C35 O8 1.236(5) .
C35 O7 1.265(5) .
C35 C35 1.539(8) 2_765
La1 O7 2.461(3) .
La1 O1 2.512(3) .
La1 O8 2.521(3) 2_765
La1 O9 2.567(3) .
La1 O4 2.579(3) .
La1 N4 2.698(3) .
La1 N2 2.733(3) .
La1 N1 2.754(4) .
La1 N3 2.754(4) .
La1 H9B 1.79(2) .
O1 S1 1.464(3) .
O2 S1 1.433(3) .
O3 S1 1.448(3) .
O4 S2 1.472(3) .
O5 S2 1.434(3) .
O6 S2 1.441(3) .
O8 La1 2.521(3) 2_765
O9 H9A 0.841(19) .
O9 H9B 0.815(19) .
