#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:25:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179919 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/14/7021452.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_7021452
loop_
_publ_author_name
'Zou, Xiaoyan'
'Li, Mingjie'
'Yan, Pengfei'
'Zhang, Juwen'
'Hou, Guangfeng'
'Li, Guangming'
_publ_section_title
;
 Systematic study on the structures of salen type lanthanide complexes
 tuned by lanthanide contraction and corresponding luminescence.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9482
_journal_page_last               9489
_journal_paper_doi               10.1039/c3dt50534k
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         '2(C34 H36 La N7 O13), (C H4 O)'
_chemical_formula_sum            'C69 H76 La2 N14 O27'
_chemical_formula_weight         1811.26
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.4810(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.0985(10)
_cell_length_b                   37.415(4)
_cell_length_c                   10.9657(10)
_cell_measurement_reflns_used    27355
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      3.01
_cell_volume                     3800.1(7)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_molecular_graphics    'XP (Sheldrick, 1993)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_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  0.0312
_diffrn_reflns_av_unetI/netI     0.0365
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            20570
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.56
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.200
_exptl_absorpt_correction_T_max  0.8079
_exptl_absorpt_correction_T_min  0.7619
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1836
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.651
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.353
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         6645
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.357
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0076P)²+7.0312P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.0932
_reflns_number_gt                6355
_reflns_number_total             6645
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50534k.txt
_cod_data_source_block           zxy-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3800.1(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7021452
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
C1 C 0.6426(5) 0.96129(13) 0.7364(5) 0.0413(12) Uani 1 1 d .
C2 C 0.7662(6) 0.94936(15) 0.7201(6) 0.0535(14) Uani 1 1 d .
H1 H 0.8046 0.9270 0.7524 0.064 Uiso 1 1 calc R
C3 C 0.8314(7) 0.97048(18) 0.6564(6) 0.0635(17) Uani 1 1 d .
H2 H 0.9107 0.9616 0.6432 0.076 Uiso 1 1 calc R
C4 C 0.7819(7) 1.00437(18) 0.6121(6) 0.0661(18) Uani 1 1 d .
H3 H 0.8280 1.0182 0.5703 0.079 Uiso 1 1 calc R
C5 C 0.6648(7) 1.01742(16) 0.6299(5) 0.0600(16) Uani 1 1 d .
H4 H 0.6316 1.0403 0.6004 0.072 Uiso 1 1 calc R
C6 C 0.5935(6) 0.99670(14) 0.6923(5) 0.0467(13) Uani 1 1 d .
C7 C 0.4707(6) 1.01142(14) 0.7065(5) 0.0518(14) Uani 1 1 d .
H5 H 0.4436 1.0346 0.6762 0.062 Uiso 1 1 calc R
C8 C 0.2681(6) 1.00948(15) 0.7747(6) 0.0575(15) Uani 1 1 d .
H7 H 0.1811 0.9986 0.7104 0.069 Uiso 1 1 calc R
H8 H 0.2628 1.0350 0.7586 0.069 Uiso 1 1 calc R
C9 C 0.2780(6) 1.00230(15) 0.9134(6) 0.0552(14) Uani 1 1 d .
H10 H 0.3647 1.0135 0.9767 0.066 Uiso 1 1 calc R
H9B H 0.2871 0.9767 0.9296 0.066 Uiso 1 1 calc R
C10 C 0.1490(6) 1.01584(15) 0.9376(6) 0.0593(16) Uani 1 1 d .
H11 H 0.0611 1.0059 0.8714 0.071 Uiso 1 1 calc R
H12 H 0.1566 1.0081 1.0245 0.071 Uiso 1 1 calc R
C11 C 0.0376(6) 1.07277(17) 0.8436(6) 0.0619(17) Uani 1 1 d .
H14 H -0.0425 1.0600 0.7875 0.074 Uiso 1 1 calc R
C12 C 0.0354(6) 1.11013(17) 0.8269(5) 0.0531(14) Uani 1 1 d .
C13 C -0.0862(7) 1.1258(2) 0.7255(6) 0.0720(19) Uani 1 1 d .
H15 H -0.1646 1.1115 0.6761 0.086 Uiso 1 1 calc R
C14 C -0.0908(7) 1.1612(2) 0.6987(6) 0.080(2) Uani 1 1 d .
H16 H -0.1714 1.1712 0.6319 0.096 Uiso 1 1 calc R
C15 C 0.0273(8) 1.1823(2) 0.7731(7) 0.078(2) Uani 1 1 d .
H17 H 0.0253 1.2066 0.7545 0.093 Uiso 1 1 calc R
C16 C 0.1464(6) 1.16815(17) 0.8731(6) 0.0629(16) Uani 1 1 d .
H18 H 0.2238 1.1831 0.9200 0.076 Uiso 1 1 calc R
C17 C 0.1547(5) 1.13170(15) 0.9066(5) 0.0462(13) Uani 1 1 d .
C18 C 0.5445(5) 0.78560(13) 0.8815(5) 0.0443(12) Uani 1 1 d .
C19 C 0.6342(7) 0.77722(16) 0.8147(6) 0.0631(16) Uani 1 1 d .
H19 H 0.6730 0.7956 0.7820 0.076 Uiso 1 1 calc R
C20 C 0.6649(9) 0.74240(19) 0.7971(8) 0.091(2) Uani 1 1 d .
H20 H 0.7259 0.7374 0.7542 0.109 Uiso 1 1 calc R
C21 C 0.6058(9) 0.71441(19) 0.8426(8) 0.091(2) Uani 1 1 d U
H21 H 0.6262 0.6909 0.8291 0.109 Uiso 1 1 calc R
C22 C 0.5195(8) 0.72149(17) 0.9059(7) 0.079(2) Uani 1 1 d U
H22 H 0.4824 0.7027 0.9380 0.095 Uiso 1 1 calc R
C23 C 0.4836(6) 0.75691(14) 0.9250(6) 0.0525(14) Uani 1 1 d .
C24 C 0.3840(7) 0.76251(16) 0.9845(6) 0.0617(16) Uani 1 1 d .
H23 H 0.3479 0.7424 1.0109 0.074 Uiso 1 1 calc R
C25 C 0.2277(7) 0.7980(2) 1.0584(7) 0.079(2) Uani 1 1 d .
H26 H 0.2562 0.8169 1.1241 0.095 Uiso 1 1 calc R
H25 H 0.2183 0.7761 1.1017 0.095 Uiso 1 1 calc R
C26 C 0.0786(7) 0.8075(2) 0.9437(8) 0.085(2) Uani 1 1 d .
H27 H 0.0673 0.7941 0.8645 0.102 Uiso 1 1 calc R
H28 H 0.0011 0.8008 0.9700 0.102 Uiso 1 1 calc R
C27 C 0.0689(6) 0.84608(19) 0.9135(6) 0.0679(17) Uani 1 1 d .
H30 H 0.0761 0.8595 0.9916 0.082 Uiso 1 1 calc R
H29 H 0.1490 0.8530 0.8910 0.082 Uiso 1 1 calc R
C28 C -0.0785(6) 0.86124(17) 0.6815(6) 0.0618(16) Uani 1 1 d .
H32 H 0.0060 0.8608 0.6668 0.074 Uiso 1 1 calc R
C29 C -0.2079(5) 0.86865(14) 0.5725(5) 0.0459(12) Uani 1 1 d .
C30 C -0.2011(7) 0.87553(15) 0.4480(6) 0.0558(15) Uani 1 1 d .
H33 H -0.1124 0.8749 0.4410 0.067 Uiso 1 1 calc R
C31 C -0.3227(7) 0.88309(16) 0.3384(6) 0.0617(16) Uani 1 1 d .
H34 H -0.3182 0.8878 0.2569 0.074 Uiso 1 1 calc R
C32 C -0.4542(7) 0.88363(17) 0.3520(6) 0.0640(17) Uani 1 1 d .
H35 H -0.5380 0.8885 0.2775 0.077 Uiso 1 1 calc R
C33 C -0.4651(6) 0.87735(15) 0.4702(5) 0.0509(13) Uani 1 1 d .
H36 H -0.5553 0.8778 0.4742 0.061 Uiso 1 1 calc R
C34 C -0.3420(5) 0.87023(12) 0.5860(5) 0.0392(11) Uani 1 1 d .
La1 La 0.49386(3) 0.879383(7) 0.81365(3) 0.03200(9) Uani 1 1 d .
N1 N 0.3945(5) 0.99478(11) 0.7587(4) 0.0495(11) Uani 1 1 d D
H6 H 0.4169 0.9736 0.7880 0.074 Uiso 1 1 d RD
N2 N 0.1421(5) 1.05480(13) 0.9306(5) 0.0564(12) Uani 1 1 d D
H13 H 0.2129 1.0681 0.9758 0.085 Uiso 1 1 d RD
N3 N 0.3396(5) 0.79331(13) 1.0049(5) 0.0573(12) Uani 1 1 d D
H24 H 0.3777 0.8113 0.9842 0.086 Uiso 1 1 d RD
N4 N -0.0683(5) 0.85490(14) 0.8019(5) 0.0625(13) Uani 1 1 d D
H31 H -0.1519 0.8525 0.8028 0.094 Uiso 1 1 d RD
N5 N 0.2188(5) 0.92096(10) 0.6253(4) 0.0427(10) Uani 1 1 d .
N6 N 0.2660(5) 0.82194(11) 0.6428(4) 0.0460(10) Uani 1 1 d .
N7 N 0.3984(5) 0.90918(13) 1.0309(4) 0.0500(11) Uani 1 1 d .
O1 O 0.5786(4) 0.94145(9) 0.7947(4) 0.0473(9) Uani 1 1 d .
O2 O 0.2647(4) 1.11815(9) 1.0045(3) 0.0502(9) Uani 1 1 d .
O3 O 0.5176(4) 0.81858(9) 0.9010(3) 0.0466(8) Uani 1 1 d .
O4 O -0.3479(4) 0.86551(9) 0.7010(3) 0.0437(8) Uani 1 1 d .
O5 O 0.3062(4) 0.90791(10) 0.5812(4) 0.0531(9) Uani 1 1 d .
O6 O 0.1034(4) 0.93372(11) 0.5492(4) 0.0650(11) Uani 1 1 d .
O7 O 0.2549(4) 0.92061(9) 0.7490(3) 0.0491(9) Uani 1 1 d .
O8 O 0.3723(4) 0.82805(10) 0.6148(4) 0.0549(10) Uani 1 1 d .
O9 O 0.1883(5) 0.79610(11) 0.5980(5) 0.0848(15) Uani 1 1 d .
O10 O 0.2427(4) 0.84379(9) 0.7192(4) 0.0485(9) Uani 1 1 d .
O11 O 0.4860(4) 0.92744(10) 1.0020(4) 0.0568(10) Uani 1 1 d .
O12 O 0.3256(5) 0.92213(12) 1.0862(4) 0.0780(14) Uani 1 1 d .
O13 O 0.3884(4) 0.87657(10) 0.9985(4) 0.0531(9) Uani 1 1 d .
O14 O 1.031(3) 0.7657(11) 0.696(3) 0.334(15) Uiso 0.50 1 d PD
H14A H 1.0936 0.7600 0.6695 0.501 Uiso 0.50 1 calc PR
C35 C 0.891(3) 0.7712(8) 0.580(3) 0.223(14) Uiso 0.50 1 d PD
H35A H 0.8232 0.7823 0.6092 0.335 Uiso 0.50 1 calc PR
H35B H 0.8536 0.7485 0.5400 0.335 Uiso 0.50 1 calc PR
H35C H 0.9060 0.7862 0.5156 0.335 Uiso 0.50 1 calc PR
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 C1 C2 121.4(5) . .
O1 C1 C6 121.3(5) . .
C2 C1 C6 117.3(5) . .
C3 C2 C1 120.6(6) . .
C3 C2 H1 119.7 . .
C1 C2 H1 119.7 . .
C4 C3 C2 121.7(6) . .
C4 C3 H2 119.2 . .
C2 C3 H2 119.2 . .
C5 C4 C3 119.5(5) . .
C5 C4 H3 120.3 . .
C3 C4 H3 120.3 . .
C4 C5 C6 120.9(6) . .
C4 C5 H4 119.6 . .
C6 C5 H4 119.6 . .
C5 C6 C7 118.5(5) . .
C5 C6 C1 119.9(5) . .
C7 C6 C1 121.5(5) . .
N1 C7 C6 124.3(5) . .
N1 C7 H5 117.9 . .
C6 C7 H5 117.9 . .
N1 C8 C9 110.1(5) . .
N1 C8 H7 109.6 . .
C9 C8 H7 109.6 . .
N1 C8 H8 109.6 . .
C9 C8 H8 109.6 . .
H7 C8 H8 108.2 . .
C8 C9 C10 113.6(5) . .
C8 C9 H10 108.8 . .
C10 C9 H10 108.8 . .
C8 C9 H9B 108.8 . .
C10 C9 H9B 108.8 . .
H10 C9 H9B 107.7 . .
N2 C10 C9 110.6(5) . .
N2 C10 H11 109.5 . .
C9 C10 H11 109.5 . .
N2 C10 H12 109.5 . .
C9 C10 H12 109.5 . .
H11 C10 H12 108.1 . .
N2 C11 C12 125.3(5) . .
N2 C11 H14 117.4 . .
C12 C11 H14 117.4 . .
C11 C12 C13 118.5(6) . .
C11 C12 C17 121.1(5) . .
C13 C12 C17 120.4(6) . .
C14 C13 C12 121.3(6) . .
C14 C13 H15 119.3 . .
C12 C13 H15 119.3 . .
C13 C14 C15 118.7(6) . .
C13 C14 H16 120.6 . .
C15 C14 H16 120.6 . .
C16 C15 C14 121.7(7) . .
C16 C15 H17 119.2 . .
C14 C15 H17 119.2 . .
C15 C16 C17 121.7(6) . .
C15 C16 H18 119.2 . .
C17 C16 H18 119.2 . .
O2 C17 C16 122.4(5) . .
O2 C17 C12 121.4(5) . .
C16 C17 C12 116.2(5) . .
O3 C18 C19 121.1(5) . .
O3 C18 C23 121.3(5) . .
C19 C18 C23 117.6(5) . .
C20 C19 C18 120.9(6) . .
C20 C19 H19 119.5 . .
C18 C19 H19 119.5 . .
C19 C20 C21 120.7(7) . .
C19 C20 H20 119.7 . .
C21 C20 H20 119.7 . .
C22 C21 C20 119.8(7) . .
C22 C21 H21 120.1 . .
C20 C21 H21 120.1 . .
C21 C22 C23 121.4(6) . .
C21 C22 H22 119.3 . .
C23 C22 H22 119.3 . .
C22 C23 C18 119.5(6) . .
C22 C23 C24 118.6(5) . .
C18 C23 C24 121.9(5) . .
N3 C24 C23 124.9(5) . .
N3 C24 H23 117.5 . .
C23 C24 H23 117.5 . .
N3 C25 C26 110.5(5) . .
N3 C25 H26 109.6 . .
C26 C25 H26 109.6 . .
N3 C25 H25 109.6 . .
C26 C25 H25 109.6 . .
H26 C25 H25 108.1 . .
C27 C26 C25 111.1(6) . .
C27 C26 H27 109.4 . .
C25 C26 H27 109.4 . .
C27 C26 H28 109.4 . .
C25 C26 H28 109.4 . .
H27 C26 H28 108.0 . .
N4 C27 C26 111.2(6) . .
N4 C27 H30 109.4 . .
C26 C27 H30 109.4 . .
N4 C27 H29 109.4 . .
C26 C27 H29 109.4 . .
H30 C27 H29 108.0 . .
N4 C28 C29 124.7(5) . .
N4 C28 H32 117.6 . .
C29 C28 H32 117.6 . .
C28 C29 C30 118.1(5) . .
C28 C29 C34 121.5(5) . .
C30 C29 C34 120.4(5) . .
C31 C30 C29 121.0(5) . .
C31 C30 H33 119.5 . .
C29 C30 H33 119.5 . .
C30 C31 C32 118.1(5) . .
C30 C31 H34 121.0 . .
C32 C31 H34 121.0 . .
C33 C32 C31 122.7(6) . .
C33 C32 H35 118.7 . .
C31 C32 H35 118.7 . .
C32 C33 C34 121.0(5) . .
C32 C33 H36 119.5 . .
C34 C33 H36 119.5 . .
O4 C34 C33 122.5(4) . .
O4 C34 C29 120.7(5) . .
C33 C34 C29 116.8(4) . .
O4 La1 O3 91.07(11) 1_655 .
O4 La1 O2 77.31(12) 1_655 3_677
O3 La1 O2 78.83(12) . 3_677
O4 La1 O1 80.84(11) 1_655 .
O3 La1 O1 155.49(12) . .
O2 La1 O1 76.83(12) 3_677 .
O4 La1 O13 158.18(12) 1_655 .
O3 La1 O13 70.64(12) . .
O2 La1 O13 87.25(12) 3_677 .
O1 La1 O13 110.82(11) . .
O4 La1 O10 114.16(11) 1_655 .
O3 La1 O10 67.60(12) . .
O2 La1 O10 144.22(12) 3_677 .
O1 La1 O10 136.75(12) . .
O13 La1 O10 70.61(11) . .
O4 La1 O7 133.24(11) 1_655 .
O3 La1 O7 124.82(11) . .
O2 La1 O7 133.01(11) 3_677 .
O1 La1 O7 75.48(11) . .
O13 La1 O7 68.53(11) . .
O10 La1 O7 64.85(11) . .
O4 La1 O5 87.77(11) 1_655 .
O3 La1 O5 131.06(12) . .
O2 La1 O5 147.27(12) 3_677 .
O1 La1 O5 72.08(12) . .
O13 La1 O5 113.08(12) . .
O10 La1 O5 68.51(11) . .
O7 La1 O5 46.79(10) . .
O4 La1 O11 137.60(12) 1_655 .
O3 La1 O11 109.90(11) . .
O2 La1 O11 71.59(12) 3_677 .
O1 La1 O11 64.70(11) . .
O13 La1 O11 46.51(11) . .
O10 La1 O11 107.92(11) . .
O7 La1 O11 62.43(11) . .
O5 La1 O11 103.22(11) . .
O4 La1 O8 68.33(11) 1_655 .
O3 La1 O8 67.06(11) . .
O2 La1 O8 130.03(11) 3_677 .
O1 La1 O8 128.95(11) . .
O13 La1 O8 112.65(11) . .
O10 La1 O8 45.84(10) . .
O7 La1 O8 96.81(11) . .
O5 La1 O8 67.21(11) . .
O11 La1 O8 153.56(11) . .
C7 N1 C8 125.2(5) . .
C7 N1 H6 120.1 . .
C8 N1 H6 114.7 . .
C11 N2 C10 124.4(5) . .
C11 N2 H13 112.0 . .
C10 N2 H13 122.9 . .
C24 N3 C25 123.3(5) . .
C24 N3 H24 115.8 . .
C25 N3 H24 120.9 . .
C28 N4 C27 123.4(5) . .
C28 N4 H31 110.5 . .
C27 N4 H31 125.0 . .
O6 N5 O7 121.7(4) . .
O6 N5 O5 120.7(4) . .
O7 N5 O5 117.6(4) . .
O9 N6 O8 121.6(5) . .
O9 N6 O10 121.5(5) . .
O8 N6 O10 116.8(4) . .
O12 N7 O11 122.2(5) . .
O12 N7 O13 121.7(5) . .
O11 N7 O13 116.1(4) . .
C1 O1 La1 144.8(3) . .
C17 O2 La1 154.0(3) . 3_677
C18 O3 La1 144.5(3) . .
C34 O4 La1 139.3(3) . 1_455
N5 O5 La1 97.2(3) . .
N5 O7 La1 97.7(3) . .
N6 O8 La1 95.0(3) . .
N6 O10 La1 100.4(3) . .
N7 O11 La1 93.9(3) . .
N7 O13 La1 99.5(3) . .
C35 O14 H14A 109.5 . .
O14 C35 H35A 109.5 . .
O14 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
O14 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.306(5) .
C1 C2 1.402(7) .
C1 C6 1.430(7) .
C2 C3 1.383(7) .
C2 H1 0.9300 .
C3 C4 1.379(9) .
C3 H2 0.9300 .
C4 C5 1.364(9) .
C4 H3 0.9300 .
C5 C6 1.407(7) .
C5 H4 0.9300 .
C6 C7 1.421(8) .
C7 N1 1.287(7) .
C7 H5 0.9300 .
C8 N1 1.463(7) .
C8 C9 1.508(8) .
C8 H7 0.9700 .
C8 H8 0.9700 .
C9 C10 1.516(7) .
C9 H10 0.9700 .
C9 H9B 0.9700 .
C10 N2 1.460(7) .
C10 H11 0.9700 .
C10 H12 0.9700 .
C11 N2 1.293(7) .
C11 C12 1.409(8) .
C11 H14 0.9300 .
C12 C13 1.414(8) .
C12 C17 1.424(7) .
C13 C14 1.354(10) .
C13 H15 0.9300 .
C14 C15 1.391(10) .
C14 H16 0.9300 .
C15 C16 1.371(8) .
C15 H17 0.9300 .
C16 C17 1.406(8) .
C16 H18 0.9300 .
C17 O2 1.301(6) .
C18 O3 1.299(6) .
C18 C19 1.409(7) .
C18 C23 1.411(7) .
C19 C20 1.371(8) .
C19 H19 0.9300 .
C20 C21 1.393(10) .
C20 H20 0.9300 .
C21 C22 1.339(9) .
C21 H21 0.9300 .
C22 C23 1.411(8) .
C22 H22 0.9300 .
C23 C24 1.416(8) .
C24 N3 1.288(7) .
C24 H23 0.9300 .
C25 N3 1.476(7) .
C25 C26 1.571(9) .
C25 H26 0.9700 .
C25 H25 0.9700 .
C26 C27 1.475(9) .
C26 H27 0.9700 .
C26 H28 0.9700 .
C27 N4 1.474(7) .
C27 H30 0.9700 .
C27 H29 0.9700 .
C28 N4 1.304(7) .
C28 C29 1.403(8) .
C28 H32 0.9300 .
C29 C30 1.417(7) .
C29 C34 1.420(6) .
C30 C31 1.362(8) .
C30 H33 0.9300 .
C31 C32 1.394(8) .
C31 H34 0.9300 .
C32 C33 1.364(7) .
C32 H35 0.9300 .
C33 C34 1.403(7) .
C33 H36 0.9300 .
C34 O4 1.298(5) .
La1 O4 2.434(3) 1_655
La1 O3 2.443(3) .
La1 O2 2.461(3) 3_677
La1 O1 2.512(3) .
La1 O13 2.641(3) .
La1 O10 2.681(3) .
La1 O7 2.709(4) .
La1 O5 2.716(4) .
La1 O11 2.763(4) .
La1 O8 2.796(4) .
N1 H6 0.8503 .
N2 H13 0.8500 .
N3 H24 0.8489 .
N4 H31 0.8539 .
N5 O6 1.228(5) .
N5 O7 1.257(5) .
N5 O5 1.261(5) .
N6 O9 1.218(5) .
N6 O8 1.249(5) .
N6 O10 1.257(5) .
N7 O12 1.224(5) .
N7 O11 1.254(6) .
N7 O13 1.264(5) .
O2 La1 2.461(3) 3_677
O4 La1 2.434(3) 1_455
O14 C35 1.495(10) .
O14 H14A 0.8200 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O14 H14A O9 0.82 1.99 2.52(4) 121.6 1_655
N1 H6 O1 0.85 2.01 2.647(5) 131.5 .
N1 H6 O7 0.85 2.50 3.095(6) 128.1 .
N2 H13 O2 0.85 1.94 2.647(6) 140.5 .
N2 H13 O1 0.85 2.58 3.206(6) 131.0 3_677
N3 H24 O3 0.85 1.98 2.656(6) 135.6 .
N3 H24 O13 0.85 2.45 3.159(6) 141.8 .
N4 H31 O4 0.85 1.91 2.620(6) 140.1 .
