#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:47:14 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180518 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/87/7218752.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_7218752
loop_
_publ_author_name
'Kumar, Rakesh'
'Obrai, Sangeeta'
'Kaur Jassal, Amanpreet'
'Hundal, Maninder Singh'
_publ_section_title
;
 Supramolecular architectures of
 N,N,N′,N′-tetrakis-(2-hydroxyethyl)ethylenediamine and
 tris(2-hydroxyethyl)amine with La(iii) picrate
;
_journal_issue                   103
_journal_name_full               'RSC Adv.'
_journal_page_first              59248
_journal_paper_doi               10.1039/C4RA05835F
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety         'C12 H34 La N2 O8, 3(C6 H2 N3 O7)'
_chemical_formula_sum            'C30 H40 La N11 O29'
_chemical_formula_weight         1157.64
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 111.433(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.481(3)
_cell_length_b                   27.028(8)
_cell_length_c                   14.742(4)
_cell_measurement_reflns_used    7574
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      38.03
_cell_measurement_theta_min      2.91
_cell_volume                     4258(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'Sir-92 (altomare, 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            59913
_diffrn_reflns_theta_full        42.38
_diffrn_reflns_theta_max         42.38
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    1.121
_exptl_absorpt_correction_T_max  0.7482
_exptl_absorpt_correction_T_min  0.5951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2008/1 - Bruker AXS area detector scaling and absorption correction'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             2344
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.271
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         14972
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.588
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0313
_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)+(0.0435P)²+1.3997P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0761
_refine_ls_wR_factor_ref         0.0839
_reflns_number_gt                12548
_reflns_number_total             14972
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra05835f2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7218752
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
C1 C 0.27024(18) 0.46507(8) 0.26985(19) 0.0394(4) Uani 1 1 d .
H1A H 0.2571 0.4451 0.3199 0.047 Uiso 1 1 calc R
H1B H 0.2385 0.4470 0.2088 0.047 Uiso 1 1 calc R
C2 C 0.2025(2) 0.51356(8) 0.25992(19) 0.0398(4) Uani 1 1 d .
H2A H 0.1132 0.5074 0.2375 0.048 Uiso 1 1 calc R
H2B H 0.2275 0.5293 0.3233 0.048 Uiso 1 1 calc R
C3 C 0.2343(2) 0.63502(8) 0.15348(19) 0.0410(4) Uani 1 1 d .
H3A H 0.1929 0.6321 0.0834 0.049 Uiso 1 1 calc R
H3B H 0.2192 0.6680 0.1729 0.049 Uiso 1 1 calc R
C4 C 0.1845(2) 0.59687(8) 0.2037(2) 0.0403(4) Uani 1 1 d .
H4A H 0.2116 0.6047 0.2726 0.048 Uiso 1 1 calc R
H4B H 0.0938 0.5975 0.1769 0.048 Uiso 1 1 calc R
C5 C 0.2488(2) 0.53422(9) 0.03225(15) 0.0411(4) Uani 1 1 d .
H5A H 0.2093 0.5185 -0.0307 0.049 Uiso 1 1 calc R
H5B H 0.2609 0.5689 0.0214 0.049 Uiso 1 1 calc R
C6 C 0.16631(18) 0.52953(8) 0.08981(16) 0.0391(4) Uani 1 1 d .
H6A H 0.0906 0.5486 0.0584 0.047 Uiso 1 1 calc R
H6B H 0.1426 0.4951 0.0906 0.047 Uiso 1 1 calc R
C7 C 0.59432(17) 0.36966(7) 0.41581(13) 0.0303(3) Uani 1 1 d .
C8 C 0.50876(16) 0.32895(8) 0.38376(13) 0.0317(3) Uani 1 1 d .
C9 C 0.54281(18) 0.28207(8) 0.36799(13) 0.0330(3) Uani 1 1 d .
H9 H 0.4832 0.2571 0.3464 0.040 Uiso 1 1 calc R
C10 C 0.66729(18) 0.27241(7) 0.38475(13) 0.0316(3) Uani 1 1 d .
C11 C 0.75792(17) 0.30866(7) 0.41991(13) 0.0313(3) Uani 1 1 d .
H11 H 0.8414 0.3018 0.4312 0.038 Uiso 1 1 calc R
C12 C 0.72224(16) 0.35481(7) 0.43767(13) 0.0296(3) Uani 1 1 d .
C13 C 0.5000 0.74889(9) 0.2500 0.0300(4) Uani 1 2 d S
C14 C 0.46008(15) 0.77869(6) 0.16212(12) 0.0261(2) Uani 1 1 d .
C15 C 0.46098(15) 0.82917(6) 0.16167(13) 0.0277(3) Uani 1 1 d .
H15 H 0.4359 0.8466 0.1033 0.033 Uiso 1 1 calc R
C16 C 0.5000 0.85388(8) 0.2500 0.0270(4) Uani 1 2 d S
N1 N 0.22856(15) 0.54719(5) 0.19171(13) 0.0292(3) Uani 1 1 d .
N2 N 0.37625(17) 0.33698(9) 0.36501(14) 0.0421(4) Uani 1 1 d .
N3 N 0.7037(2) 0.22353(7) 0.36557(13) 0.0400(4) Uani 1 1 d .
N4 N 0.82177(17) 0.39039(7) 0.48161(14) 0.0365(3) Uani 1 1 d .
N5 N 0.41830(16) 0.75441(7) 0.06841(12) 0.0341(3) Uani 1 1 d .
N6 N 0.5000 0.90688(8) 0.2500 0.0325(4) Uani 1 2 d S
O1 O 0.40032(13) 0.47497(6) 0.29544(13) 0.0408(3) Uani 1 1 d D
H1 H 0.440(2) 0.4535(10) 0.331(2) 0.049 Uiso 1 1 d D
O2 O 0.36549(14) 0.62672(5) 0.18089(14) 0.0412(3) Uani 1 1 d D
H2 H 0.401(2) 0.6538(9) 0.186(2) 0.049 Uiso 1 1 d D
O3 O 0.36797(15) 0.51134(7) 0.08330(11) 0.0400(3) Uani 1 1 d D
H3 H 0.363(3) 0.4820(9) 0.074(2) 0.048 Uiso 1 1 d D
O4 O 0.56182(15) 0.41379(6) 0.42237(13) 0.0399(3) Uani 1 1 d .
O5 O 0.34775(19) 0.36846(8) 0.41255(19) 0.0568(5) Uani 1 1 d .
O6 O 0.30078(18) 0.30999(13) 0.30514(17) 0.0789(9) Uani 1 1 d .
O7 O 0.6230(2) 0.19157(8) 0.33941(19) 0.0650(6) Uani 1 1 d .
O8 O 0.8133(2) 0.21585(8) 0.37852(17) 0.0551(5) Uani 1 1 d .
O9 O 0.9159(2) 0.38692(11) 0.4650(3) 0.0838(10) Uani 1 1 d .
O10 O 0.8083(2) 0.42244(9) 0.53383(18) 0.0631(6) Uani 1 1 d .
O11 O 0.5000 0.70312(8) 0.2500 0.0493(6) Uani 1 2 d S
O12 O 0.3710(3) 0.71360(8) 0.05902(15) 0.0623(6) Uani 1 1 d .
O13 O 0.4324(2) 0.77682(8) 0.00123(12) 0.0472(4) Uani 1 1 d .
O14 O 0.53588(18) 0.92874(6) 0.32879(14) 0.0462(4) Uani 1 1 d .
O1W O 0.4463(2) 0.59128(9) 0.38675(14) 0.0527(5) Uani 1 1 d D
H11W H 0.463(4) 0.5788(14) 0.439(2) 0.063 Uiso 1 1 d D
H12W H 0.454(4) 0.6200(9) 0.385(3) 0.063 Uiso 1 1 d D
La1 La 0.5000 0.550051(4) 0.2500 0.02219(4) Uani 1 2 d S
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 108.45(17) . .
O1 C1 H1A 110.0 . .
C2 C1 H1A 110.0 . .
O1 C1 H1B 110.0 . .
C2 C1 H1B 110.0 . .
H1A C1 H1B 108.4 . .
N1 C2 C1 112.33(17) . .
N1 C2 H2A 109.1 . .
C1 C2 H2A 109.1 . .
N1 C2 H2B 109.1 . .
C1 C2 H2B 109.1 . .
H2A C2 H2B 107.9 . .
O2 C3 C4 107.78(16) . .
O2 C3 H3A 110.2 . .
C4 C3 H3A 110.2 . .
O2 C3 H3B 110.2 . .
C4 C3 H3B 110.2 . .
H3A C3 H3B 108.5 . .
N1 C4 C3 111.04(18) . .
N1 C4 H4A 109.4 . .
C3 C4 H4A 109.4 . .
N1 C4 H4B 109.4 . .
C3 C4 H4B 109.4 . .
H4A C4 H4B 108.0 . .
O3 C5 C6 110.28(18) . .
O3 C5 H5A 109.6 . .
C6 C5 H5A 109.6 . .
O3 C5 H5B 109.6 . .
C6 C5 H5B 109.6 . .
H5A C5 H5B 108.1 . .
N1 C6 C5 112.16(16) . .
N1 C6 H6A 109.2 . .
C5 C6 H6A 109.2 . .
N1 C6 H6B 109.2 . .
C5 C6 H6B 109.2 . .
H6A C6 H6B 107.9 . .
O4 C7 C8 124.26(17) . .
O4 C7 C12 123.43(19) . .
C8 C7 C12 112.29(17) . .
C9 C8 C7 124.14(17) . .
C9 C8 N2 116.57(19) . .
C7 C8 N2 119.28(19) . .
C8 C9 C10 118.96(18) . .
C8 C9 H9 120.5 . .
C10 C9 H9 120.5 . .
C9 C10 C11 121.28(18) . .
C9 C10 N3 119.44(18) . .
C11 C10 N3 119.28(18) . .
C12 C11 C10 118.72(17) . .
C12 C11 H11 120.6 . .
C10 C11 H11 120.6 . .
C11 C12 C7 124.28(17) . .
C11 C12 N4 116.58(16) . .
C7 C12 N4 119.14(17) . .
O11 C13 C14 123.74(10) . .
O11 C13 C14 123.74(10) . 2_655
C14 C13 C14 112.5(2) . 2_655
C15 C14 C13 124.00(16) . .
C15 C14 N5 116.77(16) . .
C13 C14 N5 119.22(16) . .
C14 C15 C16 118.58(16) . .
C14 C15 H15 120.7 . .
C16 C15 H15 120.7 . .
C15 C16 C15 122.3(2) . 2_655
C15 C16 N6 118.85(11) . .
C15 C16 N6 118.85(11) 2_655 .
C2 N1 C4 108.60(17) . .
C2 N1 C6 110.56(17) . .
C4 N1 C6 110.85(17) . .
C2 N1 La1 106.16(12) . .
C4 N1 La1 108.56(12) . .
C6 N1 La1 111.95(12) . .
O5 N2 O6 124.1(2) . .
O5 N2 C8 118.3(2) . .
O6 N2 C8 117.5(2) . .
O8 N3 O7 123.3(2) . .
O8 N3 C10 118.7(2) . .
O7 N3 C10 117.9(2) . .
O9 N4 O10 121.5(2) . .
O9 N4 C12 118.6(2) . .
O10 N4 C12 119.80(19) . .
O12 N5 O13 122.96(19) . .
O12 N5 C14 120.01(18) . .
O13 N5 C14 117.02(17) . .
O14 N6 O14 122.7(2) 2_655 .
O14 N6 C16 118.65(12) 2_655 .
O14 N6 C16 118.66(12) . .
C1 O1 La1 127.61(12) . .
C1 O1 H1 108.8(18) . .
La1 O1 H1 123.4(18) . .
C3 O2 La1 131.29(12) . .
C3 O2 H2 108.8(17) . .
La1 O2 H2 118.1(18) . .
C5 O3 La1 115.97(13) . .
C5 O3 H3 110(2) . .
La1 O3 H3 123(2) . .
La1 O1W H11W 122(3) . .
La1 O1W H12W 110(3) . .
H11W O1W H12W 118(4) . .
O1 La1 O1 73.77(9) . 2_655
O1 La1 O2 119.16(5) . .
O1 La1 O2 143.73(6) 2_655 .
O1 La1 O2 143.73(6) . 2_655
O1 La1 O2 119.17(5) 2_655 2_655
O2 La1 O2 72.08(7) . 2_655
O1 La1 O1W 144.61(7) . 2_655
O1 La1 O1W 83.05(7) 2_655 2_655
O2 La1 O1W 67.64(7) . 2_655
O2 La1 O1W 71.25(7) 2_655 2_655
O1 La1 O1W 83.05(7) . .
O1 La1 O1W 144.61(7) 2_655 .
O2 La1 O1W 71.25(7) . .
O2 La1 O1W 67.64(7) 2_655 .
O1W La1 O1W 128.56(11) 2_655 .
O1 La1 O3 65.83(5) . 2_655
O1 La1 O3 76.31(6) 2_655 2_655
O2 La1 O3 139.69(6) . 2_655
O2 La1 O3 83.72(6) 2_655 2_655
O1W La1 O3 134.02(7) 2_655 2_655
O1W La1 O3 69.85(7) . 2_655
O1 La1 O3 76.31(6) . .
O1 La1 O3 65.83(5) 2_655 .
O2 La1 O3 83.72(6) . .
O2 La1 O3 139.69(6) 2_655 .
O1W La1 O3 69.85(7) 2_655 .
O1W La1 O3 134.03(7) . .
O3 La1 O3 132.36(8) 2_655 .
O1 La1 N1 115.96(5) . 2_655
O1 La1 N1 61.31(4) 2_655 2_655
O2 La1 N1 124.24(5) . 2_655
O2 La1 N1 58.69(5) 2_655 2_655
O1W La1 N1 72.87(7) 2_655 2_655
O1W La1 N1 108.51(7) . 2_655
O3 La1 N1 61.16(5) 2_655 2_655
O3 La1 N1 117.44(5) . 2_655
O1 La1 N1 61.30(4) . .
O1 La1 N1 115.95(5) 2_655 .
O2 La1 N1 58.69(5) . .
O2 La1 N1 124.24(5) 2_655 .
O1W La1 N1 108.51(7) 2_655 .
O1W La1 N1 72.87(7) . .
O3 La1 N1 117.44(5) 2_655 .
O3 La1 N1 61.16(5) . .
N1 La1 N1 176.96(6) 2_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.426(2) .
C1 C2 1.503(3) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 N1 1.465(3) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 O2 1.428(3) .
C3 C4 1.499(3) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 N1 1.468(2) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 O3 1.438(3) .
C5 C6 1.490(4) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 N1 1.487(3) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 O4 1.264(2) .
C7 C8 1.435(3) .
C7 C12 1.441(3) .
C8 C9 1.371(3) .
C8 N2 1.460(3) .
C9 C10 1.383(3) .
C9 H9 0.9300 .
C10 C11 1.385(3) .
C10 N3 1.444(3) .
C11 C12 1.368(3) .
C11 H11 0.9300 .
C12 N4 1.452(3) .
C13 O11 1.237(3) .
C13 C14 1.450(2) .
C13 C14 1.450(2) 2_655
C14 C15 1.364(2) .
C14 N5 1.444(2) .
C15 C16 1.384(2) .
C15 H15 0.9300 .
C16 C15 1.384(2) 2_655
C16 N6 1.432(3) .
N1 La1 2.9153(18) .
N2 O5 1.221(3) .
N2 O6 1.226(3) .
N3 O8 1.219(3) .
N3 O7 1.221(3) .
N4 O9 1.195(3) .
N4 O10 1.206(3) .
N5 O12 1.215(3) .
N5 O13 1.221(2) .
N6 O14 1.232(2) 2_655
N6 O14 1.232(2) .
O1 La1 2.5370(15) .
O1 H1 0.80(2) .
O2 La1 2.5625(15) .
O2 H2 0.83(2) .
O3 La1 2.5902(16) .
O3 H3 0.80(2) .
O1W La1 2.5680(18) .
O1W H11W 0.80(2) .
O1W H12W 0.78(2) .
La1 O1 2.5370(15) 2_655
La1 O2 2.5626(15) 2_655
La1 O1W 2.5679(18) 2_655
La1 O3 2.5901(16) 2_655
La1 N1 2.9153(18) 2_655
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
O1 C1 C2 N1 54.3(3) . .
O2 C3 C4 N1 -48.1(3) . .
O3 C5 C6 N1 51.9(2) . .
O4 C7 C8 C9 173.63(18) . .
C12 C7 C8 C9 -5.0(2) . .
O4 C7 C8 N2 -5.6(3) . .
C12 C7 C8 N2 175.84(16) . .
C7 C8 C9 C10 0.8(3) . .
N2 C8 C9 C10 -179.93(17) . .
C8 C9 C10 C11 2.1(3) . .
C8 C9 C10 N3 -178.14(17) . .
C9 C10 C11 C12 -0.3(3) . .
N3 C10 C11 C12 179.92(17) . .
C10 C11 C12 C7 -4.6(3) . .
C10 C11 C12 N4 175.33(17) . .
O4 C7 C12 C11 -171.73(19) . .
C8 C7 C12 C11 6.9(3) . .
O4 C7 C12 N4 8.4(3) . .
C8 C7 C12 N4 -173.00(16) . .
O11 C13 C14 C15 -179.36(12) . .
C14 C13 C14 C15 0.64(12) 2_655 .
O11 C13 C14 N5 -0.42(17) . .
C14 C13 C14 N5 179.59(17) 2_655 .
C13 C14 C15 C16 -1.2(2) . .
N5 C14 C15 C16 179.79(13) . .
C14 C15 C16 C15 0.60(11) . 2_655
C14 C15 C16 N6 -179.40(11) . .
C1 C2 N1 C4 -166.64(19) . .
C1 C2 N1 C6 71.5(2) . .
C1 C2 N1 La1 -50.1(2) . .
C3 C4 N1 C2 166.88(19) . .
C3 C4 N1 C6 -71.5(2) . .
C3 C4 N1 La1 51.9(2) . .
C5 C6 N1 C2 -137.82(18) . .
C5 C6 N1 C4 101.7(2) . .
C5 C6 N1 La1 -19.7(2) . .
C9 C8 N2 O5 150.1(2) . .
C7 C8 N2 O5 -30.6(3) . .
C9 C8 N2 O6 -26.8(3) . .
C7 C8 N2 O6 152.5(2) . .
C9 C10 N3 O8 178.3(2) . .
C11 C10 N3 O8 -1.9(3) . .
C9 C10 N3 O7 -3.5(3) . .
C11 C10 N3 O7 176.3(2) . .
C11 C12 N4 O9 29.7(3) . .
C7 C12 N4 O9 -150.4(3) . .
C11 C12 N4 O10 -150.0(2) . .
C7 C12 N4 O10 29.9(3) . .
C15 C14 N5 O12 -152.5(2) . .
C13 C14 N5 O12 28.5(3) . .
C15 C14 N5 O13 27.1(3) . .
C13 C14 N5 O13 -151.93(17) . .
C15 C16 N6 O14 0.65(13) . 2_655
C15 C16 N6 O14 -179.35(13) 2_655 2_655
C15 C16 N6 O14 -179.35(13) . .
C15 C16 N6 O14 0.65(13) 2_655 .
C2 C1 O1 La1 -30.3(3) . .
C4 C3 O2 La1 20.3(3) . .
C6 C5 O3 La1 -62.9(2) . .
C1 O1 La1 O1 -129.2(2) . 2_655
C1 O1 La1 O2 13.9(2) . .
C1 O1 La1 O2 113.35(19) . 2_655
C1 O1 La1 O1W -78.1(2) . 2_655
C1 O1 La1 O1W 77.8(2) . .
C1 O1 La1 O3 148.8(2) . 2_655
C1 O1 La1 O3 -60.8(2) . .
C1 O1 La1 N1 -174.92(18) . 2_655
C1 O1 La1 N1 3.58(18) . .
C3 O2 La1 O1 -6.2(2) . .
C3 O2 La1 O1 96.5(2) . 2_655
C3 O2 La1 O2 -148.4(2) . 2_655
C3 O2 La1 O1W 135.1(2) . 2_655
C3 O2 La1 O1W -76.6(2) . .
C3 O2 La1 O3 -92.4(2) . 2_655
C3 O2 La1 O3 64.3(2) . .
C3 O2 La1 N1 -176.64(19) . 2_655
C3 O2 La1 N1 4.36(19) . .
C5 O3 La1 O1 99.95(17) . .
C5 O3 La1 O1 178.06(18) . 2_655
C5 O3 La1 O2 -22.15(16) . .
C5 O3 La1 O2 -74.69(18) . 2_655
C5 O3 La1 O1W -90.60(18) . 2_655
C5 O3 La1 O1W 34.1(2) . .
C5 O3 La1 O3 137.54(17) . 2_655
C5 O3 La1 N1 -147.65(15) . 2_655
C5 O3 La1 N1 35.42(15) . .
C2 N1 La1 O1 24.17(13) . .
C4 N1 La1 O1 140.75(16) . .
C6 N1 La1 O1 -96.56(13) . .
C2 N1 La1 O1 75.79(14) . 2_655
C4 N1 La1 O1 -167.62(14) . 2_655
C6 N1 La1 O1 -44.94(14) . 2_655
C2 N1 La1 O2 -145.32(15) . .
C4 N1 La1 O2 -28.73(14) . .
C6 N1 La1 O2 93.95(13) . .
C2 N1 La1 O2 -113.50(13) . 2_655
C4 N1 La1 O2 3.09(16) . 2_655
C6 N1 La1 O2 125.77(12) . 2_655
C2 N1 La1 O1W 167.00(14) . 2_655
C4 N1 La1 O1W -76.42(15) . 2_655
C6 N1 La1 O1W 46.27(13) . 2_655
C2 N1 La1 O1W -67.22(14) . .
C4 N1 La1 O1W 49.36(15) . .
C6 N1 La1 O1W 172.05(14) . .
C2 N1 La1 O3 -11.70(15) . 2_655
C4 N1 La1 O3 104.88(14) . 2_655
C6 N1 La1 O3 -132.43(12) . 2_655
C2 N1 La1 O3 113.80(14) . .
C4 N1 La1 O3 -129.62(15) . .
C6 N1 La1 O3 -6.93(12) . .
