#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/21/4342166.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_4342166
loop_
_publ_author_name
'Castro, Goretti'
'Bastida, Rufina'
'Macías, Alejandro'
'Pérez-Lourido, Paulo'
'Platas-Iglesias, Carlos'
'Valencia, Laura'
_publ_section_title
;
 Lanthanide(III) Complexation with an Amide Derived Pyridinophane.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1671
_journal_page_last               1683
_journal_paper_doi               10.1021/ic502653r
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C27 H38 La1.5 N13.5 O19'
_chemical_formula_weight         1064.07
_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
_cell_angle_alpha                106.508(2)
_cell_angle_beta                 110.376(2)
_cell_angle_gamma                91.085(2)
_cell_formula_units_Z            2
_cell_length_a                   12.8230(15)
_cell_length_b                   12.9297(15)
_cell_length_c                   13.6859(16)
_cell_measurement_temperature    293(2)
_cell_volume                     2021.8(4)
_computing_cell_refinement       'BRUKER smart'
_computing_data_collection       'BRUKER smart'
_computing_data_reduction        'BRUKER Shelxtl'
_computing_molecular_graphics    'ORTEP-3 FOR Windows (Farrugia, 1997)'
_computing_publication_material
'Win GX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'BRUKER CCD-1000 area detector'
_diffrn_measurement_method       '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  0.0544
_diffrn_reflns_av_sigmaI/netI    0.0856
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15624
_diffrn_reflns_theta_full        25.18
_diffrn_reflns_theta_max         25.18
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    1.663
_exptl_absorpt_correction_T_max  0.8647
_exptl_absorpt_correction_T_min  0.7214
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.613
_refine_diff_density_min         -1.307
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         7208
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0993
_refine_ls_R_factor_gt           0.0569
_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)+(0.1030P)²+0.7226P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1443
_refine_ls_wR_factor_ref         0.1751
_reflns_number_gt                4750
_reflns_number_total             7208
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502653r_si_002.cif
_cod_data_source_block           La-TPPTAM
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4342165--4342179.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C27 H38 La1.50 N13.50 O19'
_cod_database_code               4342166
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
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.0000 1.0000 0.0000 0.0394(2) Uani 1 2 d S . .
La2 La 0.26738(4) 0.44109(4) 0.73585(4) 0.03284(17) Uani 1 1 d . . .
C1 C 0.4165(7) 0.7102(7) 0.8700(7) 0.041(2) Uani 1 1 d . . .
C2 C 0.4971(8) 0.7998(8) 0.9055(8) 0.058(3) Uani 1 1 d . . .
H2 H 0.4988 0.8610 0.9620 0.069 Uiso 1 1 calc R . .
C3 C 0.5746(9) 0.7969(9) 0.8563(10) 0.070(3) Uani 1 1 d . . .
H3 H 0.6301 0.8555 0.8798 0.084 Uiso 1 1 calc R . .
C4 C 0.5687(9) 0.7072(9) 0.7730(9) 0.064(3) Uani 1 1 d . . .
H4 H 0.6222 0.7029 0.7409 0.077 Uiso 1 1 calc R . .
C5 C 0.4844(8) 0.6231(8) 0.7359(8) 0.050(2) Uani 1 1 d . . .
C6 C 0.4668(9) 0.5309(8) 0.6349(8) 0.059(3) Uani 1 1 d . . .
H6A H 0.4098 0.5450 0.5733 0.071 Uiso 1 1 calc R . .
H6B H 0.5359 0.5276 0.6208 0.071 Uiso 1 1 calc R . .
C7 C 0.5295(9) 0.3882(9) 0.7138(10) 0.064(3) Uani 1 1 d . . .
H7A H 0.5850 0.3741 0.6799 0.076 Uiso 1 1 calc R . .
H7B H 0.5634 0.4462 0.7827 0.076 Uiso 1 1 calc R . .
C8 C 0.4981(9) 0.2894(8) 0.7358(8) 0.056(3) Uani 1 1 d . . .
C9 C 0.5737(10) 0.2136(11) 0.7569(10) 0.082(4) Uani 1 1 d . . .
H9 H 0.6455 0.2250 0.7570 0.098 Uiso 1 1 calc R . .
C10 C 0.5407(12) 0.1223(10) 0.7774(11) 0.088(4) Uani 1 1 d . . .
H10 H 0.5907 0.0733 0.7948 0.105 Uiso 1 1 calc R . .
C11 C 0.4341(11) 0.1056(9) 0.7718(10) 0.072(3) Uani 1 1 d . . .
H11 H 0.4099 0.0436 0.7838 0.086 Uiso 1 1 calc R . .
C12 C 0.3613(8) 0.1797(8) 0.7485(8) 0.053(2) Uani 1 1 d . . .
C13 C 0.2405(8) 0.1584(7) 0.7306(8) 0.051(2) Uani 1 1 d . . .
H13A H 0.2310 0.1034 0.7635 0.061 Uiso 1 1 calc R . .
H13B H 0.1976 0.1298 0.6525 0.061 Uiso 1 1 calc R . .
C14 C 0.2421(8) 0.2830(7) 0.8975(7) 0.047(2) Uani 1 1 d . . .
H14A H 0.3233 0.2901 0.9224 0.056 Uiso 1 1 calc R . .
H14B H 0.2169 0.2237 0.9175 0.056 Uiso 1 1 calc R . .
C15 C 0.2065(7) 0.3877(7) 0.9532(7) 0.040(2) Uani 1 1 d . . .
C16 C 0.1907(8) 0.4040(8) 1.0513(8) 0.054(3) Uani 1 1 d . . .
H16 H 0.1997 0.3494 1.0843 0.065 Uiso 1 1 calc R . .
C17 C 0.1619(9) 0.5005(8) 1.0988(8) 0.059(3) Uani 1 1 d . . .
H17 H 0.1530 0.5131 1.1656 0.071 Uiso 1 1 calc R . .
C18 C 0.1457(7) 0.5810(8) 1.0471(7) 0.045(2) Uani 1 1 d . . .
H18 H 0.1240 0.6471 1.0770 0.054 Uiso 1 1 calc R . .
C19 C 0.1634(6) 0.5583(7) 0.9495(7) 0.0363(19) Uani 1 1 d . . .
C20 C 0.1382(7) 0.6366(7) 0.8845(7) 0.040(2) Uani 1 1 d . . .
H20A H 0.0644 0.6124 0.8271 0.048 Uiso 1 1 calc R . .
H20B H 0.1360 0.7075 0.9322 0.048 Uiso 1 1 calc R . .
C21 C 0.3299(7) 0.7072(7) 0.9194(7) 0.040(2) Uani 1 1 d . . .
H21A H 0.3551 0.6715 0.9755 0.049 Uiso 1 1 calc R . .
H21B H 0.3193 0.7809 0.9537 0.049 Uiso 1 1 calc R . .
C22 C 0.3858(10) 0.3403(9) 0.5312(9) 0.072(3) Uani 1 1 d . . .
H22A H 0.3740 0.3767 0.4759 0.087 Uiso 1 1 calc R . .
H22B H 0.4413 0.2917 0.5245 0.087 Uiso 1 1 calc R . .
C23 C 0.2792(10) 0.2746(9) 0.5077(8) 0.059(3) Uani 1 1 d . . .
C24 C 0.0717(8) 0.2347(8) 0.7382(9) 0.059(3) Uani 1 1 d . . .
H24A H 0.0503 0.2276 0.7975 0.071 Uiso 1 1 calc R . .
H24B H 0.0477 0.1655 0.6801 0.071 Uiso 1 1 calc R . .
C25 C 0.0112(8) 0.3211(7) 0.6951(7) 0.046(2) Uani 1 1 d . . .
C26 C 0.1778(8) 0.7069(7) 0.7525(7) 0.043(2) Uani 1 1 d . . .
H26A H 0.2393 0.7521 0.7530 0.051 Uiso 1 1 calc R . .
H26B H 0.1261 0.7541 0.7732 0.051 Uiso 1 1 calc R . .
C27 C 0.1188(8) 0.6300(7) 0.6396(7) 0.043(2) Uani 1 1 d . . .
N1 N 0.4102(6) 0.6219(6) 0.7844(6) 0.0419(18) Uani 1 1 d . . .
N2 N 0.4320(6) 0.4237(6) 0.6414(6) 0.0478(19) Uani 1 1 d . . .
N3 N 0.3946(6) 0.2736(6) 0.7361(6) 0.0437(18) Uani 1 1 d . . .
N4 N 0.1947(6) 0.2584(5) 0.7782(5) 0.0393(16) Uani 1 1 d . . .
N5 N 0.1958(5) 0.4650(5) 0.9039(5) 0.0342(15) Uani 1 1 d . . .
N6 N 0.2220(6) 0.6475(5) 0.8335(5) 0.0364(16) Uani 1 1 d . . .
N7 N 0.2592(10) 0.1750(8) 0.4387(8) 0.092(3) Uani 1 1 d . . .
N8 N -0.0973(7) 0.3176(7) 0.6799(8) 0.064(2) Uani 1 1 d . . .
N9 N 0.0307(7) 0.6586(7) 0.5734(7) 0.064(2) Uani 1 1 d . . .
O1 O 0.2098(6) 0.3151(5) 0.5475(5) 0.0563(18) Uani 1 1 d . . .
O2 O 0.0616(5) 0.3907(5) 0.6719(5) 0.0515(16) Uani 1 1 d . . .
O3 O 0.1571(5) 0.5415(5) 0.6089(4) 0.0452(15) Uani 1 1 d . . .
N6N N 0.1245(7) 0.8931(7) 0.1753(8) 0.053(2) Uani 1 1 d . . .
O16N O 0.1359(6) 0.9954(6) 0.1966(6) 0.0627(19) Uani 1 1 d . . .
O17N O 0.0575(6) 0.8365(5) 0.0833(6) 0.0559(17) Uani 1 1 d . . .
O18N O 0.1745(6) 0.8525(6) 0.2460(7) 0.075(2) Uani 1 1 d . . .
N3N N 0.1144(7) 1.2191(6) 0.1754(7) 0.051(2) Uani 1 1 d . . .
O9N O 0.1565(5) 1.1712(5) 0.1084(6) 0.0540(17) Uani 1 1 d . . .
O7N O 0.0207(6) 1.1759(5) 0.1654(6) 0.0537(17) Uani 1 1 d . . .
O8N O 0.1606(7) 1.3049(6) 0.2462(6) 0.081(2) Uani 1 1 d . . .
N2N N -0.2036(7) 1.0164(6) 0.0750(7) 0.053(2) Uani 1 1 d . . .
O6N O -0.1178(6) 0.9755(5) 0.1207(6) 0.0561(17) Uani 1 1 d . . .
O5N O -0.2001(5) 1.0514(5) -0.0009(6) 0.0541(17) Uani 1 1 d . . .
O4N O -0.2849(6) 1.0185(6) 0.0996(7) 0.075(2) Uani 1 1 d . . .
N1N N 0.5000 0.5000 1.0000 0.095(5) Uiso 1 2 d S . .
O1N O 0.4430(14) 0.4720(13) 0.9107(13) 0.054(5) Uiso 0.50 1 d P . .
O2N O 0.425(2) 0.516(2) 1.063(2) 0.156(9) Uiso 0.50 1 d P . .
O3N O 0.4151(14) 0.4788(14) 0.9302(14) 0.059(5) Uiso 0.50 1 d P . .
N4N N 0.6596(17) 0.195(2) 0.4599(17) 0.32(3) Uiso 0.734(10) 1 d PD A 1
O11N O 0.696(2) 0.220(2) 0.410(2) 0.215(10) Uiso 0.734(10) 1 d PD A 1
O10N O 0.665(3) 0.122(3) 0.481(3) 0.298(17) Uiso 0.734(10) 1 d PD A 1
O12N O 0.617(2) 0.260(3) 0.484(2) 0.250(13) Uiso 0.734(10) 1 d PD A 1
N5N N 0.494(4) 0.103(3) 0.451(4) 0.112(17) Uiso 0.266(10) 1 d PD A 2
O15N O 0.444(3) 0.045(3) 0.467(3) 0.109(13) Uiso 0.266(10) 1 d PD A 2
O13N O 0.509(4) 0.150(3) 0.399(3) 0.117(14) Uiso 0.266(10) 1 d PD A 2
O14N O 0.412(4) 0.066(5) 0.385(4) 0.18(2) Uiso 0.266(10) 1 d PD A 2
O1W O 0.0044(9) 1.0923(8) 0.3667(7) 0.115(3) Uani 1 1 d . . .
O2W O 0.2032(10) 1.5129(9) 0.4083(8) 0.127(4) Uani 1 1 d . . .
O3W O -0.1208(14) 1.0649(13) 0.4923(13) 0.081(5) Uiso 0.50 1 d P . .
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
O7N La1 O7N 180.0(3) 2_575 .
O7N La1 O9N 47.6(2) 2_575 2_575
O7N La1 O9N 132.4(2) . 2_575
O7N La1 O9N 132.4(2) 2_575 .
O7N La1 O9N 47.6(2) . .
O9N La1 O9N 180.000(1) 2_575 .
O7N La1 O5N 69.1(2) 2_575 2_575
O7N La1 O5N 110.9(2) . 2_575
O9N La1 O5N 111.2(2) 2_575 2_575
O9N La1 O5N 68.8(2) . 2_575
O7N La1 O5N 110.9(2) 2_575 .
O7N La1 O5N 69.1(2) . .
O9N La1 O5N 68.8(2) 2_575 .
O9N La1 O5N 111.2(2) . .
O5N La1 O5N 180.0(3) 2_575 .
O7N La1 O16N 64.6(2) 2_575 2_575
O7N La1 O16N 115.4(2) . 2_575
O9N La1 O16N 66.3(2) 2_575 2_575
O9N La1 O16N 113.7(2) . 2_575
O5N La1 O16N 112.1(2) 2_575 2_575
O5N La1 O16N 67.9(2) . 2_575
O7N La1 O16N 115.4(2) 2_575 .
O7N La1 O16N 64.6(2) . .
O9N La1 O16N 113.7(2) 2_575 .
O9N La1 O16N 66.3(2) . .
O5N La1 O16N 67.9(2) 2_575 .
O5N La1 O16N 112.1(2) . .
O16N La1 O16N 180.0(3) 2_575 .
O7N La1 O6N 66.1(2) 2_575 2_575
O7N La1 O6N 113.9(2) . 2_575
O9N La1 O6N 110.6(2) 2_575 2_575
O9N La1 O6N 69.4(2) . 2_575
O5N La1 O6N 47.4(2) 2_575 2_575
O5N La1 O6N 132.6(2) . 2_575
O16N La1 O6N 69.3(2) 2_575 2_575
O16N La1 O6N 110.7(2) . 2_575
O7N La1 O6N 113.9(2) 2_575 .
O7N La1 O6N 66.1(2) . .
O9N La1 O6N 69.4(2) 2_575 .
O9N La1 O6N 110.6(2) . .
O5N La1 O6N 132.6(2) 2_575 .
O5N La1 O6N 47.4(2) . .
O16N La1 O6N 110.7(2) 2_575 .
O16N La1 O6N 69.3(2) . .
O6N La1 O6N 180.000(1) 2_575 .
O7N La1 O17N 72.6(2) 2_575 .
O7N La1 O17N 107.4(2) . .
O9N La1 O17N 69.7(2) 2_575 .
O9N La1 O17N 110.3(2) . .
O5N La1 O17N 68.4(2) 2_575 .
O5N La1 O17N 111.6(2) . .
O16N La1 O17N 132.3(2) 2_575 .
O16N La1 O17N 47.7(2) . .
O6N La1 O17N 111.8(2) 2_575 .
O6N La1 O17N 68.2(2) . .
O7N La1 O17N 107.4(2) 2_575 2_575
O7N La1 O17N 72.6(2) . 2_575
O9N La1 O17N 110.3(2) 2_575 2_575
O9N La1 O17N 69.7(2) . 2_575
O5N La1 O17N 111.6(2) 2_575 2_575
O5N La1 O17N 68.4(2) . 2_575
O16N La1 O17N 47.7(2) 2_575 2_575
O16N La1 O17N 132.3(2) . 2_575
O6N La1 O17N 68.2(2) 2_575 2_575
O6N La1 O17N 111.8(2) . 2_575
O17N La1 O17N 180.000(1) . 2_575
O1 La2 O2 73.9(2) . .
O1 La2 O3 73.0(2) . .
O2 La2 O3 67.2(2) . .
O1 La2 O3N 142.1(4) . .
O2 La2 O3N 128.4(4) . .
O3 La2 O3N 140.3(4) . .
O1 La2 O1N 133.5(4) . .
O2 La2 O1N 139.0(4) . .
O3 La2 O1N 140.6(4) . .
O3N La2 O1N 11.4(5) . .
O1 La2 N5 135.1(2) . .
O2 La2 N5 67.7(2) . .
O3 La2 N5 110.5(2) . .
O3N La2 N5 61.6(4) . .
O1N La2 N5 72.9(4) . .
O1 La2 N1 116.1(2) . .
O2 La2 N1 137.0(2) . .
O3 La2 N1 76.0(2) . .
O3N La2 N1 70.9(4) . .
O1N La2 N1 66.2(4) . .
N5 La2 N1 107.8(2) . .
O1 La2 N3 70.8(2) . .
O2 La2 N3 116.4(2) . .
O3 La2 N3 140.3(2) . .
O3N La2 N3 71.5(4) . .
O1N La2 N3 64.7(4) . .
N5 La2 N3 106.5(2) . .
N1 La2 N3 106.0(2) . .
O1 La2 N6 135.8(2) . .
O2 La2 N6 84.1(2) . .
O3 La2 N6 63.15(19) . .
O3N La2 N6 81.1(4) . .
O1N La2 N6 87.5(4) . .
N5 La2 N6 62.3(2) . .
N1 La2 N6 59.2(2) . .
N3 La2 N6 152.2(2) . .
O1 La2 N4 83.1(2) . .
O2 La2 N4 63.2(2) . .
O3 La2 N4 129.1(2) . .
O3N La2 N4 82.8(4) . .
O1N La2 N4 87.5(4) . .
N5 La2 N4 59.48(19) . .
N1 La2 N4 153.6(2) . .
N3 La2 N4 61.5(2) . .
N6 La2 N4 120.3(2) . .
O1 La2 N2 64.4(2) . .
O2 La2 N2 137.1(2) . .
O3 La2 N2 90.6(2) . .
O3N La2 N2 92.5(4) . .
O1N La2 N2 81.1(4) . .
N5 La2 N2 154.0(2) . .
N1 La2 N2 61.6(2) . .
N3 La2 N2 59.1(2) . .
N6 La2 N2 119.2(2) . .
N4 La2 N2 118.6(2) . .
N1 C1 C2 120.9(9) . .
N1 C1 C21 116.6(7) . .
C2 C1 C21 122.4(8) . .
C3 C2 C1 119.3(10) . .
C3 C2 H2 120.3 . .
C1 C2 H2 120.3 . .
C4 C3 C2 118.8(10) . .
C4 C3 H3 120.6 . .
C2 C3 H3 120.6 . .
C3 C4 C5 120.3(10) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
N1 C5 C4 122.1(9) . .
N1 C5 C6 116.6(8) . .
C4 C5 C6 121.2(9) . .
N2 C6 C5 113.8(8) . .
N2 C6 H6A 108.8 . .
C5 C6 H6A 108.8 . .
N2 C6 H6B 108.8 . .
C5 C6 H6B 108.8 . .
H6A C6 H6B 107.7 . .
C8 C7 N2 112.1(8) . .
C8 C7 H7A 109.2 . .
N2 C7 H7A 109.2 . .
C8 C7 H7B 109.2 . .
N2 C7 H7B 109.2 . .
H7A C7 H7B 107.9 . .
N3 C8 C9 120.3(10) . .
N3 C8 C7 117.8(9) . .
C9 C8 C7 121.8(10) . .
C10 C9 C8 119.8(12) . .
C10 C9 H9 120.1 . .
C8 C9 H9 120.1 . .
C11 C10 C9 118.7(11) . .
C11 C10 H10 120.7 . .
C9 C10 H10 120.7 . .
C10 C11 C12 120.3(12) . .
C10 C11 H11 119.8 . .
C12 C11 H11 119.8 . .
N3 C12 C11 121.8(10) . .
N3 C12 C13 116.5(8) . .
C11 C12 C13 121.6(10) . .
C12 C13 N4 113.0(7) . .
C12 C13 H13A 109.0 . .
N4 C13 H13A 109.0 . .
C12 C13 H13B 109.0 . .
N4 C13 H13B 109.0 . .
H13A C13 H13B 107.8 . .
N4 C14 C15 110.7(7) . .
N4 C14 H14A 109.5 . .
C15 C14 H14A 109.5 . .
N4 C14 H14B 109.5 . .
C15 C14 H14B 109.5 . .
H14A C14 H14B 108.1 . .
N5 C15 C16 122.1(8) . .
N5 C15 C14 115.9(7) . .
C16 C15 C14 122.0(8) . .
C17 C16 C15 119.3(9) . .
C17 C16 H16 120.3 . .
C15 C16 H16 120.3 . .
C16 C17 C18 119.9(9) . .
C16 C17 H17 120.1 . .
C18 C17 H17 120.1 . .
C19 C18 C17 117.2(8) . .
C19 C18 H18 121.4 . .
C17 C18 H18 121.4 . .
N5 C19 C18 123.5(8) . .
N5 C19 C20 116.2(7) . .
C18 C19 C20 120.2(8) . .
N6 C20 C19 113.3(7) . .
N6 C20 H20A 108.9 . .
C19 C20 H20A 108.9 . .
N6 C20 H20B 108.9 . .
C19 C20 H20B 108.9 . .
H20A C20 H20B 107.7 . .
N6 C21 C1 110.1(7) . .
N6 C21 H21A 109.6 . .
C1 C21 H21A 109.6 . .
N6 C21 H21B 109.6 . .
C1 C21 H21B 109.6 . .
H21A C21 H21B 108.2 . .
C23 C22 N2 114.9(8) . .
C23 C22 H22A 108.5 . .
N2 C22 H22A 108.5 . .
C23 C22 H22B 108.5 . .
N2 C22 H22B 108.5 . .
H22A C22 H22B 107.5 . .
O1 C23 N7 122.5(11) . .
O1 C23 C22 120.4(9) . .
N7 C23 C22 117.0(11) . .
N4 C24 C25 113.5(8) . .
N4 C24 H24A 108.9 . .
C25 C24 H24A 108.9 . .
N4 C24 H24B 108.9 . .
C25 C24 H24B 108.9 . .
H24A C24 H24B 107.7 . .
O2 C25 N8 122.5(9) . .
O2 C25 C24 121.0(8) . .
N8 C25 C24 116.5(9) . .
N6 C26 C27 111.3(7) . .
N6 C26 H26A 109.4 . .
C27 C26 H26A 109.4 . .
N6 C26 H26B 109.4 . .
C27 C26 H26B 109.4 . .
H26A C26 H26B 108.0 . .
O3 C27 N9 122.0(8) . .
O3 C27 C26 119.6(8) . .
N9 C27 C26 118.3(8) . .
C5 N1 C1 118.3(8) . .
C5 N1 La2 122.2(6) . .
C1 N1 La2 119.0(5) . .
C7 N2 C6 109.0(8) . .
C7 N2 C22 110.0(8) . .
C6 N2 C22 111.7(8) . .
C7 N2 La2 107.0(6) . .
C6 N2 La2 110.5(5) . .
C22 N2 La2 108.5(6) . .
C8 N3 C12 118.8(8) . .
C8 N3 La2 118.8(6) . .
C12 N3 La2 122.0(6) . .
C14 N4 C24 109.9(7) . .
C14 N4 C13 107.0(7) . .
C24 N4 C13 108.8(7) . .
C14 N4 La2 105.7(5) . .
C24 N4 La2 113.2(5) . .
C13 N4 La2 112.0(5) . .
C19 N5 C15 118.0(7) . .
C19 N5 La2 121.7(5) . .
C15 N5 La2 119.7(5) . .
C26 N6 C21 110.0(6) . .
C26 N6 C20 109.3(7) . .
C21 N6 C20 110.0(6) . .
C26 N6 La2 111.5(5) . .
C21 N6 La2 106.4(5) . .
C20 N6 La2 109.6(5) . .
C23 O1 La2 122.3(6) . .
C25 O2 La2 126.9(6) . .
C27 O3 La2 124.4(5) . .
O18N N6N O17N 121.7(9) . .
O18N N6N O16N 119.7(10) . .
O17N N6N O16N 118.4(8) . .
N6N O16N La1 96.9(6) . .
N6N O17N La1 96.9(5) . .
O8N N3N O9N 121.6(9) . .
O8N N3N O7N 121.4(8) . .
O9N N3N O7N 117.0(8) . .
N3N O9N La1 97.8(5) . .
N3N O7N La1 97.5(5) . .
O4N N2N O5N 121.6(9) . .
O4N N2N O6N 122.5(9) . .
O5N N2N O6N 115.8(8) . .
N2N O6N La1 98.0(5) . .
N2N O5N La1 98.8(5) . .
O1N N1N O1N 180.000(9) . 2_667
O1N N1N O3N 26.1(11) . .
O1N N1N O3N 153.9(11) 2_667 .
O1N N1N O3N 153.9(11) . 2_667
O1N N1N O3N 26.1(11) 2_667 2_667
O3N N1N O3N 180.000(7) . 2_667
O1N N1N O2N 74.0(12) . 2_667
O1N N1N O2N 106.0(13) 2_667 2_667
O3N N1N O2N 100.0(13) . 2_667
O3N N1N O2N 80.0(13) 2_667 2_667
O1N N1N O2N 106.0(13) . .
O1N N1N O2N 74.0(12) 2_667 .
O3N N1N O2N 80.0(13) . .
O3N N1N O2N 100.0(13) 2_667 .
O2N N1N O2N 180.000(12) 2_667 .
O3N O1N N1N 78(3) . .
O3N O1N O2N 141(4) . 2_667
N1N O1N O2N 63.3(12) . 2_667
O3N O1N La2 84(3) . .
N1N O1N La2 160.6(13) . .
O2N O1N La2 134.2(14) 2_667 .
N1N O2N O1N 42.7(9) . 2_667
N1N O2N O3N 40.9(9) . .
O1N O2N O3N 83.7(14) 2_667 .
O1N O3N N1N 76(3) . .
O1N O3N O2N 135(4) . .
N1N O3N O2N 59.1(11) . .
O1N O3N La2 84(3) . .
N1N O3N La2 159.7(13) . .
O2N O3N La2 140.1(14) . .
O12N N4N O11N 104(4) . .
O12N N4N O10N 128(4) . .
O11N N4N O10N 128(4) . .
N4N O11N O12N 37.8(18) . .
N4N O12N O11N 38.3(18) . .
O15N N5N O14N 64(4) . .
O15N N5N O13N 153(7) . .
O14N N5N O13N 89(6) . .
N5N O15N O14N 58(2) . .
N5N O13N O14N 45(3) . .
N5N O14N O15N 58(2) . .
N5N O14N O13N 46(3) . .
O15N O14N O13N 103(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O7N 2.646(7) 2_575
La1 O7N 2.646(7) .
La1 O9N 2.650(6) 2_575
La1 O9N 2.650(6) .
La1 O5N 2.659(6) 2_575
La1 O5N 2.659(6) .
La1 O16N 2.666(7) 2_575
La1 O16N 2.666(7) .
La1 O6N 2.670(6) 2_575
La1 O6N 2.670(6) .
La1 O17N 2.675(6) .
La1 O17N 2.675(6) 2_575
La2 O1 2.467(6) .
La2 O2 2.481(6) .
La2 O3 2.519(6) .
La2 O3N 2.573(17) .
La2 O1N 2.575(16) .
La2 N5 2.703(6) .
La2 N1 2.714(7) .
La2 N3 2.736(7) .
La2 N6 2.797(7) .
La2 N4 2.803(7) .
La2 N2 2.817(7) .
C1 N1 1.361(11) .
C1 C2 1.390(12) .
C1 C21 1.492(12) .
C2 C3 1.377(15) .
C2 H2 0.9300 .
C3 C4 1.355(15) .
C3 H3 0.9300 .
C4 C5 1.367(13) .
C4 H4 0.9300 .
C5 N1 1.338(11) .
C5 C6 1.490(14) .
C6 N2 1.483(12) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.472(14) .
C7 N2 1.475(12) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 N3 1.341(12) .
C8 C9 1.409(15) .
C9 C10 1.379(17) .
C9 H9 0.9300 .
C10 C11 1.352(17) .
C10 H10 0.9300 .
C11 C12 1.376(14) .
C11 H11 0.9300 .
C12 N3 1.354(12) .
C12 C13 1.488(14) .
C13 N4 1.502(11) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 N4 1.464(11) .
C14 C15 1.517(12) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 N5 1.339(10) .
C15 C16 1.386(12) .
C16 C17 1.355(13) .
C16 H16 0.9300 .
C17 C18 1.397(13) .
C17 H17 0.9300 .
C18 C19 1.383(11) .
C18 H18 0.9300 .
C19 N5 1.338(10) .
C19 C20 1.497(11) .
C20 N6 1.495(10) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 N6 1.484(10) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.480(15) .
C22 N2 1.489(13) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 O1 1.247(12) .
C23 N7 1.320(13) .
C24 N4 1.471(11) .
C24 C25 1.511(13) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 O2 1.270(11) .
C25 N8 1.331(12) .
C26 N6 1.485(10) .
C26 C27 1.494(12) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 O3 1.273(11) .
C27 N9 1.314(11) .
N6N O18N 1.221(10) .
N6N O17N 1.248(10) .
N6N O16N 1.265(10) .
N3N O8N 1.219(10) .
N3N O9N 1.245(9) .
N3N O7N 1.262(10) .
N2N O4N 1.200(9) .
N2N O5N 1.260(10) .
N2N O6N 1.269(10) .
N1N O1N 1.129(16) .
N1N O1N 1.129(16) 2_667
N1N O3N 1.135(17) .
N1N O3N 1.135(17) 2_667
N1N O2N 1.49(3) 2_667
N1N O2N 1.49(3) .
O1N O3N 0.51(2) .
O1N O2N 1.60(3) 2_667
O2N O1N 1.60(3) 2_667
O2N O3N 1.71(3) .
N4N O12N 1.05(2) .
N4N O11N 1.06(2) .
N4N O10N 1.06(2) .
O11N O12N 1.66(4) .
N5N O15N 1.10(3) .
N5N O14N 1.10(3) .
N5N O13N 1.11(3) .
O15N O14N 1.17(7) .
O13N O14N 1.55(7) .
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
N1 C1 C2 C3 -2.8(14) . .
C21 C1 C2 C3 179.9(9) . .
C1 C2 C3 C4 1.2(16) . .
C2 C3 C4 C5 2.5(17) . .
C3 C4 C5 N1 -4.9(17) . .
C3 C4 C5 C6 171.4(10) . .
N1 C5 C6 N2 -40.7(12) . .
C4 C5 C6 N2 142.9(10) . .
N2 C7 C8 N3 -30.2(14) . .
N2 C7 C8 C9 150.3(10) . .
N3 C8 C9 C10 0.4(18) . .
C7 C8 C9 C10 179.8(12) . .
C8 C9 C10 C11 3(2) . .
C9 C10 C11 C12 -1(2) . .
C10 C11 C12 N3 -3.5(17) . .
C10 C11 C12 C13 173.7(11) . .
N3 C12 C13 N4 -40.7(11) . .
C11 C12 C13 N4 142.0(9) . .
N4 C14 C15 N5 -34.5(11) . .
N4 C14 C15 C16 148.2(9) . .
N5 C15 C16 C17 0.9(15) . .
C14 C15 C16 C17 178.2(9) . .
C15 C16 C17 C18 1.7(16) . .
C16 C17 C18 C19 -1.8(15) . .
C17 C18 C19 N5 -0.7(13) . .
C17 C18 C19 C20 174.7(9) . .
N5 C19 C20 N6 -43.1(10) . .
C18 C19 C20 N6 141.2(8) . .
N1 C1 C21 N6 -33.6(10) . .
C2 C1 C21 N6 143.8(8) . .
N2 C22 C23 O1 32.2(15) . .
N2 C22 C23 N7 -151.6(10) . .
N4 C24 C25 O2 16.1(13) . .
N4 C24 C25 N8 -165.9(8) . .
N6 C26 C27 O3 -37.6(11) . .
N6 C26 C27 N9 145.1(9) . .
C4 C5 N1 C1 3.2(14) . .
C6 C5 N1 C1 -173.2(8) . .
C4 C5 N1 La2 -168.6(8) . .
C6 C5 N1 La2 15.0(11) . .
C2 C1 N1 C5 0.6(12) . .
C21 C1 N1 C5 178.0(8) . .
C2 C1 N1 La2 172.7(7) . .
C21 C1 N1 La2 -9.9(10) . .
O1 La2 N1 C5 -29.9(7) . .
O2 La2 N1 C5 -124.0(7) . .
O3 La2 N1 C5 -92.6(7) . .
O3N La2 N1 C5 109.7(8) . .
O1N La2 N1 C5 98.6(8) . .
N5 La2 N1 C5 159.9(7) . .
N3 La2 N1 C5 46.3(7) . .
N6 La2 N1 C5 -159.5(7) . .
N4 La2 N1 C5 103.5(7) . .
N2 La2 N1 C5 5.8(6) . .
O1 La2 N1 C1 158.4(6) . .
O2 La2 N1 C1 64.2(7) . .
O3 La2 N1 C1 95.6(6) . .
O3N La2 N1 C1 -62.1(7) . .
O1N La2 N1 C1 -73.2(7) . .
N5 La2 N1 C1 -11.9(6) . .
N3 La2 N1 C1 -125.5(6) . .
N6 La2 N1 C1 28.7(6) . .
N4 La2 N1 C1 -68.3(8) . .
N2 La2 N1 C1 -165.9(7) . .
C8 C7 N2 C6 172.5(8) . .
C8 C7 N2 C22 -64.6(11) . .
C8 C7 N2 La2 53.1(10) . .
C5 C6 N2 C7 -73.7(10) . .
C5 C6 N2 C22 164.5(9) . .
C5 C6 N2 La2 43.6(10) . .
C23 C22 N2 C7 105.7(11) . .
C23 C22 N2 C6 -133.0(10) . .
C23 C22 N2 La2 -11.0(12) . .
O1 La2 N2 C7 -121.9(7) . .
O2 La2 N2 C7 -136.6(6) . .
O3 La2 N2 C7 167.3(6) . .
O3N La2 N2 C7 26.9(7) . .
O1N La2 N2 C7 26.0(7) . .
N5 La2 N2 C7 22.0(9) . .
N1 La2 N2 C7 93.6(6) . .
N3 La2 N2 C7 -39.8(6) . .
N6 La2 N2 C7 108.1(6) . .
N4 La2 N2 C7 -56.2(7) . .
O1 La2 N2 C6 119.6(6) . .
O2 La2 N2 C6 104.9(6) . .
O3 La2 N2 C6 48.8(6) . .
O3N La2 N2 C6 -91.6(7) . .
O1N La2 N2 C6 -92.5(7) . .
N5 La2 N2 C6 -96.5(7) . .
N1 La2 N2 C6 -24.9(6) . .
N3 La2 N2 C6 -158.3(7) . .
N6 La2 N2 C6 -10.5(7) . .
N4 La2 N2 C6 -174.8(6) . .
O1 La2 N2 C22 -3.2(6) . .
O2 La2 N2 C22 -17.9(8) . .
O3 La2 N2 C22 -74.0(7) . .
O3N La2 N2 C22 145.6(7) . .
O1N La2 N2 C22 144.7(7) . .
N5 La2 N2 C22 140.7(7) . .
N1 La2 N2 C22 -147.7(7) . .
N3 La2 N2 C22 78.9(7) . .
N6 La2 N2 C22 -133.3(6) . .
N4 La2 N2 C22 62.4(7) . .
C9 C8 N3 C12 -5.1(14) . .
C7 C8 N3 C12 175.5(9) . .
C9 C8 N3 La2 167.8(8) . .
C7 C8 N3 La2 -11.6(12) . .
C11 C12 N3 C8 6.7(14) . .
C13 C12 N3 C8 -170.6(8) . .
C11 C12 N3 La2 -166.0(8) . .
C13 C12 N3 La2 16.7(11) . .
O1 La2 N3 C8 99.3(7) . .
O2 La2 N3 C8 159.2(6) . .
O3 La2 N3 C8 73.8(8) . .
O3N La2 N3 C8 -76.4(8) . .
O1N La2 N3 C8 -66.5(8) . .
N5 La2 N3 C8 -127.9(7) . .
N1 La2 N3 C8 -13.4(7) . .
N6 La2 N3 C8 -66.6(8) . .
N4 La2 N3 C8 -168.2(7) . .
N2 La2 N3 C8 28.3(6) . .
O1 La2 N3 C12 -88.0(7) . .
O2 La2 N3 C12 -28.0(7) . .
O3 La2 N3 C12 -113.5(7) . .
O3N La2 N3 C12 96.3(8) . .
O1N La2 N3 C12 106.2(8) . .
N5 La2 N3 C12 44.8(7) . .
N1 La2 N3 C12 159.3(6) . .
N6 La2 N3 C12 106.1(7) . .
N4 La2 N3 C12 4.5(6) . .
N2 La2 N3 C12 -159.0(7) . .
C15 C14 N4 C24 -65.8(9) . .
C15 C14 N4 C13 176.1(7) . .
C15 C14 N4 La2 56.6(8) . .
C25 C24 N4 C14 111.0(9) . .
C25 C24 N4 C13 -132.0(9) . .
C25 C24 N4 La2 -6.9(10) . .
C12 C13 N4 C14 -72.3(9) . .
C12 C13 N4 C24 169.0(8) . .
C12 C13 N4 La2 43.1(9) . .
O1 La2 N4 C14 163.9(5) . .
O2 La2 N4 C14 -120.7(6) . .
O3 La2 N4 C14 -134.6(5) . .
O3N La2 N4 C14 19.2(6) . .
O1N La2 N4 C14 29.6(6) . .
N5 La2 N4 C14 -42.0(5) . .
N1 La2 N4 C14 25.0(8) . .
N3 La2 N4 C14 92.0(5) . .
N6 La2 N4 C14 -56.1(6) . .
N2 La2 N4 C14 108.1(5) . .
O1 La2 N4 C24 -75.8(6) . .
O2 La2 N4 C24 -0.4(6) . .
O3 La2 N4 C24 -14.3(7) . .
O3N La2 N4 C24 139.5(7) . .
O1N La2 N4 C24 149.9(7) . .
N5 La2 N4 C24 78.3(6) . .
N1 La2 N4 C24 145.4(6) . .
N3 La2 N4 C24 -147.7(7) . .
N6 La2 N4 C24 64.3(6) . .
N2 La2 N4 C24 -131.6(6) . .
O1 La2 N4 C13 47.7(6) . .
O2 La2 N4 C13 123.1(6) . .
O3 La2 N4 C13 109.2(6) . .
O3N La2 N4 C13 -97.1(7) . .
O1N La2 N4 C13 -86.6(7) . .
N5 La2 N4 C13 -158.2(6) . .
N1 La2 N4 C13 -91.2(7) . .
N3 La2 N4 C13 -24.2(5) . .
N6 La2 N4 C13 -172.3(5) . .
N2 La2 N4 C13 -8.1(6) . .
C18 C19 N5 C15 3.2(12) . .
C20 C19 N5 C15 -172.4(7) . .
C18 C19 N5 La2 -167.9(6) . .
C20 C19 N5 La2 16.5(9) . .
C16 C15 N5 C19 -3.3(13) . .
C14 C15 N5 C19 179.3(7) . .
C16 C15 N5 La2 168.0(7) . .
C14 C15 N5 La2 -9.4(10) . .
O1 La2 N5 C19 -122.8(6) . .
O2 La2 N5 C19 -89.6(6) . .
O3 La2 N5 C19 -36.6(6) . .
O3N La2 N5 C19 100.4(7) . .
O1N La2 N5 C19 101.9(7) . .
N1 La2 N5 C19 44.7(6) . .
N3 La2 N5 C19 158.0(6) . .
N6 La2 N5 C19 5.6(6) . .
N4 La2 N5 C19 -160.8(7) . .
N2 La2 N5 C19 106.0(7) . .
O1 La2 N5 C15 66.2(7) . .
O2 La2 N5 C15 99.4(6) . .
O3 La2 N5 C15 152.4(6) . .
O3N La2 N5 C15 -70.5(7) . .
O1N La2 N5 C15 -69.1(7) . .
N1 La2 N5 C15 -126.2(6) . .
N3 La2 N5 C15 -12.9(6) . .
N6 La2 N5 C15 -165.4(7) . .
N4 La2 N5 C15 28.3(6) . .
N2 La2 N5 C15 -65.0(8) . .
C27 C26 N6 C21 145.1(7) . .
C27 C26 N6 C20 -94.0(9) . .
C27 C26 N6 La2 27.3(8) . .
C1 C21 N6 C26 -64.2(9) . .
C1 C21 N6 C20 175.3(7) . .
C1 C21 N6 La2 56.7(7) . .
C19 C20 N6 C26 167.9(7) . .
C19 C20 N6 C21 -71.2(9) . .
C19 C20 N6 La2 45.4(8) . .
O1 La2 N6 C26 -19.4(6) . .
O2 La2 N6 C26 -79.0(5) . .
O3 La2 N6 C26 -11.6(5) . .
O3N La2 N6 C26 150.6(7) . .
O1N La2 N6 C26 141.2(6) . .
N5 La2 N6 C26 -146.8(6) . .
N1 La2 N6 C26 77.6(5) . .
N3 La2 N6 C26 141.2(5) . .
N4 La2 N6 C26 -133.2(5) . .
N2 La2 N6 C26 62.8(6) . .
O1 La2 N6 C21 -139.4(5) . .
O2 La2 N6 C21 161.1(5) . .
O3 La2 N6 C21 -131.6(5) . .
O3N La2 N6 C21 30.7(6) . .
O1N La2 N6 C21 21.2(6) . .
N5 La2 N6 C21 93.2(5) . .
N1 La2 N6 C21 -42.4(5) . .
N3 La2 N6 C21 21.3(7) . .
N4 La2 N6 C21 106.9(5) . .
N2 La2 N6 C21 -57.2(5) . .
O1 La2 N6 C20 101.7(5) . .
O2 La2 N6 C20 42.2(5) . .
O3 La2 N6 C20 109.5(5) . .
O3N La2 N6 C20 -88.2(6) . .
O1N La2 N6 C20 -97.7(6) . .
N5 La2 N6 C20 -25.7(5) . .
N1 La2 N6 C20 -161.3(6) . .
N3 La2 N6 C20 -97.6(6) . .
N4 La2 N6 C20 -12.0(6) . .
N2 La2 N6 C20 -176.1(5) . .
N7 C23 O1 La2 145.2(9) . .
C22 C23 O1 La2 -38.8(13) . .
O2 La2 O1 C23 -168.6(8) . .
O3 La2 O1 C23 120.9(8) . .
O3N La2 O1 C23 -35.7(11) . .
O1N La2 O1 C23 -24.6(10) . .
N5 La2 O1 C23 -136.8(7) . .
N1 La2 O1 C23 56.5(8) . .
N3 La2 O1 C23 -42.4(8) . .
N6 La2 O1 C23 128.2(7) . .
N4 La2 O1 C23 -104.5(8) . .
N2 La2 O1 C23 21.8(8) . .
N8 C25 O2 La2 163.3(7) . .
C24 C25 O2 La2 -18.9(12) . .
O1 La2 O2 C25 100.6(7) . .
O3 La2 O2 C25 178.6(8) . .
O3N La2 O2 C25 -44.4(9) . .
O1N La2 O2 C25 -38.9(10) . .
N5 La2 O2 C25 -55.7(7) . .
N1 La2 O2 C25 -148.2(7) . .
N3 La2 O2 C25 42.2(8) . .
N6 La2 O2 C25 -118.1(7) . .
N4 La2 O2 C25 10.2(7) . .
N2 La2 O2 C25 114.4(7) . .
N9 C27 O3 La2 -154.2(7) . .
C26 C27 O3 La2 28.6(11) . .
O1 La2 O3 C27 165.9(7) . .
O2 La2 O3 C27 86.6(7) . .
O3N La2 O3 C27 -36.5(10) . .
O1N La2 O3 C27 -54.4(10) . .
N5 La2 O3 C27 33.4(7) . .
N1 La2 O3 C27 -70.7(7) . .
N3 La2 O3 C27 -169.0(6) . .
N6 La2 O3 C27 -8.4(6) . .
N4 La2 O3 C27 100.1(7) . .
N2 La2 O3 C27 -131.2(7) . .
O18N N6N O16N La1 -179.9(7) . .
O17N N6N O16N La1 -3.4(8) . .
O7N La1 O16N N6N -26.6(6) 2_575 .
O7N La1 O16N N6N 153.4(6) . .
O9N La1 O16N N6N 26.0(6) 2_575 .
O9N La1 O16N N6N -154.0(6) . .
O5N La1 O16N N6N -78.4(5) 2_575 .
O5N La1 O16N N6N 101.6(5) . .
O16N La1 O16N N6N -173(100) 2_575 .
O6N La1 O16N N6N -99.2(5) 2_575 .
O6N La1 O16N N6N 80.8(5) . .
O17N La1 O16N N6N 1.9(5) . .
O17N La1 O16N N6N -178.1(5) 2_575 .
O18N N6N O17N La1 179.8(7) . .
O16N N6N O17N La1 3.4(8) . .
O7N La1 O17N N6N 151.2(5) 2_575 .
O7N La1 O17N N6N -28.8(5) . .
O9N La1 O17N N6N -158.4(6) 2_575 .
O9N La1 O17N N6N 21.6(6) . .
O5N La1 O17N N6N 77.4(5) 2_575 .
O5N La1 O17N N6N -102.6(5) . .
O16N La1 O17N N6N 178.1(5) 2_575 .
O16N La1 O17N N6N -1.9(5) . .
O6N La1 O17N N6N 96.8(5) 2_575 .
O6N La1 O17N N6N -83.2(5) . .
O17N La1 O17N N6N -82(100) 2_575 .
O8N N3N O9N La1 178.6(8) . .
O7N N3N O9N La1 -2.6(8) . .
O7N La1 O9N N3N -178.5(5) 2_575 .
O7N La1 O9N N3N 1.5(5) . .
O9N La1 O9N N3N 41(100) 2_575 .
O5N La1 O9N N3N -149.4(6) 2_575 .
O5N La1 O9N N3N 30.6(6) . .
O16N La1 O9N N3N 105.0(5) 2_575 .
O16N La1 O9N N3N -75.0(5) . .
O6N La1 O9N N3N 159.6(6) 2_575 .
O6N La1 O9N N3N -20.4(6) . .
O17N La1 O9N N3N -93.9(5) . .
O17N La1 O9N N3N 86.1(5) 2_575 .
O8N N3N O7N La1 -178.6(8) . .
O9N N3N O7N La1 2.6(8) . .
O7N La1 O7N N3N 155(100) 2_575 .
O9N La1 O7N N3N 178.5(5) 2_575 .
O9N La1 O7N N3N -1.5(5) . .
O5N La1 O7N N3N 27.6(5) 2_575 .
O5N La1 O7N N3N -152.4(5) . .
O16N La1 O7N N3N -101.2(5) 2_575 .
O16N La1 O7N N3N 78.8(5) . .
O6N La1 O7N N3N -23.9(6) 2_575 .
O6N La1 O7N N3N 156.1(6) . .
O17N La1 O7N N3N 100.5(5) . .
O17N La1 O7N N3N -79.5(5) 2_575 .
O4N N2N O6N La1 176.3(8) . .
O5N N2N O6N La1 -1.2(8) . .
O7N La1 O6N N2N -96.4(5) 2_575 .
O7N La1 O6N N2N 83.6(5) . .
O9N La1 O6N N2N -78.9(5) 2_575 .
O9N La1 O6N N2N 101.1(5) . .
O5N La1 O6N N2N -179.3(5) 2_575 .
O5N La1 O6N N2N 0.7(5) . .
O16N La1 O6N N2N -25.8(6) 2_575 .
O16N La1 O6N N2N 154.2(6) . .
O6N La1 O6N N2N 23(100) 2_575 .
O17N La1 O6N N2N -154.4(6) . .
O17N La1 O6N N2N 25.6(6) 2_575 .
O4N N2N O5N La1 -176.3(8) . .
O6N N2N O5N La1 1.3(8) . .
O7N La1 O5N N2N 103.0(5) 2_575 .
O7N La1 O5N N2N -77.0(5) . .
O9N La1 O5N N2N 80.4(5) 2_575 .
O9N La1 O5N N2N -99.6(5) . .
O5N La1 O5N N2N -7(55) 2_575 .
O16N La1 O5N N2N 152.4(6) 2_575 .
O16N La1 O5N N2N -27.6(6) . .
O6N La1 O5N N2N 179.3(5) 2_575 .
O6N La1 O5N N2N -0.7(5) . .
O17N La1 O5N N2N 24.1(6) . .
O17N La1 O5N N2N -155.9(6) 2_575 .
O1N N1N O1N O3N 1(100) 2_667 .
O3N N1N O1N O3N 180.000(19) 2_667 .
O2N N1N O1N O3N -177(4) 2_667 .
O2N N1N O1N O3N 3(4) . .
O1N N1N O1N O2N 178(100) 2_667 2_667
O3N N1N O1N O2N 177(4) . 2_667
O3N N1N O1N O2N -3(4) 2_667 2_667
O2N N1N O1N O2N 180.000(12) . 2_667
O1N N1N O1N La2 21(100) 2_667 .
O3N N1N O1N La2 20(2) . .
O3N N1N O1N La2 -160(2) 2_667 .
O2N N1N O1N La2 -157(4) 2_667 .
O2N N1N O1N La2 23(4) . .
O1 La2 O1N O3N -143(3) . .
O2 La2 O1N O3N -23(4) . .
O3 La2 O1N O3N 95(3) . .
N5 La2 O1N O3N -6(3) . .
N1 La2 O1N O3N 113(3) . .
N3 La2 O1N O3N -125(3) . .
N6 La2 O1N O3N 55(3) . .
N4 La2 O1N O3N -65(3) . .
N2 La2 O1N O3N 175(3) . .
O1 La2 O1N N1N -163(3) . .
O2 La2 O1N N1N -43(4) . .
O3 La2 O1N N1N 75(4) . .
O3N La2 O1N N1N -20(2) . .
N5 La2 O1N N1N -26(3) . .
N1 La2 O1N N1N 93(3) . .
N3 La2 O1N N1N -144(4) . .
N6 La2 O1N N1N 36(3) . .
N4 La2 O1N N1N -85(3) . .
N2 La2 O1N N1N 156(4) . .
O1 La2 O1N O2N 46(2) . 2_667
O2 La2 O1N O2N 166.7(16) . 2_667
O3 La2 O1N O2N -75(2) . 2_667
O3N La2 O1N O2N -171(5) . 2_667
N5 La2 O1N O2N -177.0(19) . 2_667
N1 La2 O1N O2N -58.0(18) . 2_667
N3 La2 O1N O2N 64.7(18) . 2_667
N6 La2 O1N O2N -115.3(18) . 2_667
N4 La2 O1N O2N 124.2(18) . 2_667
N2 La2 O1N O2N 4.8(18) . 2_667
O1N N1N O2N O1N 180.00(2) . 2_667
O3N N1N O2N O1N -178.7(16) . 2_667
O3N N1N O2N O1N 1.3(16) 2_667 2_667
O2N N1N O2N O1N -176(10) 2_667 2_667
O1N N1N O2N O3N -1.3(16) . .
O1N N1N O2N O3N 178.7(16) 2_667 .
O3N N1N O2N O3N 180.000(18) 2_667 .
O2N N1N O2N O3N 2(10) 2_667 .
O2N O1N O3N N1N -4(5) 2_667 .
La2 O1N O3N N1N -173.4(6) . .
N1N O1N O3N O2N -3(4) . .
O2N O1N O3N O2N -7(9) 2_667 .
La2 O1N O3N O2N -177(4) . .
N1N O1N O3N La2 173.4(6) . .
O2N O1N O3N La2 169(5) 2_667 .
O1N N1N O3N O1N 180.000(19) 2_667 .
O3N N1N O3N O1N -179(4) 2_667 .
O2N N1N O3N O1N 3(4) 2_667 .
O2N N1N O3N O1N -177(4) . .
O1N N1N O3N O2N 177(4) . .
O1N N1N O3N O2N -3(4) 2_667 .
O3N N1N O3N O2N -2(3) 2_667 .
O2N N1N O3N O2N 180.000(14) 2_667 .
O1N N1N O3N La2 -19(2) . .
O1N N1N O3N La2 161(2) 2_667 .
O3N N1N O3N La2 162(3) 2_667 .
O2N N1N O3N La2 -16(4) 2_667 .
O2N N1N O3N La2 164(4) . .
N1N O2N O3N O1N 4(5) . .
O1N O2N O3N O1N 5(6) 2_667 .
O1N O2N O3N N1N 0.9(11) 2_667 .
N1N O2N O3N La2 -171(2) . .
O1N O2N O3N La2 -170.3(11) 2_667 .
O1 La2 O3N O1N 45(4) . .
O2 La2 O3N O1N 161(3) . .
O3 La2 O3N O1N -99(3) . .
N5 La2 O3N O1N 173(3) . .
N1 La2 O3N O1N -63(3) . .
N3 La2 O3N O1N 52(3) . .
N6 La2 O3N O1N -124(3) . .
N4 La2 O3N O1N 114(3) . .
N2 La2 O3N O1N -5(3) . .
O1 La2 O3N N1N 64(4) . .
O2 La2 O3N N1N 180(3) . .
O3 La2 O3N N1N -80(4) . .
O1N La2 O3N N1N 19(2) . .
N5 La2 O3N N1N -168(4) . .
N1 La2 O3N N1N -45(3) . .
N3 La2 O3N N1N 70(3) . .
N6 La2 O3N N1N -105(3) . .
N4 La2 O3N N1N 133(4) . .
N2 La2 O3N N1N 14(3) . .
O1 La2 O3N O2N -138.5(18) . .
O2 La2 O3N O2N -22(2) . .
O3 La2 O3N O2N 78(2) . .
O1N La2 O3N O2N 177(5) . .
N5 La2 O3N O2N -10.5(18) . .
N1 La2 O3N O2N 113(2) . .
N3 La2 O3N O2N -132(2) . .
N6 La2 O3N O2N 53(2) . .
N4 La2 O3N O2N -70(2) . .
N2 La2 O3N O2N 172(2) . .
O10N N4N O11N O12N -179.8(7) . .
O10N N4N O12N O11N 179.8(7) . .
O13N N5N O15N O14N 0.0(11) . .
O15N N5N O13N O14N 0.0(10) . .
O13N N5N O14N O15N 180.0(5) . .
O15N N5N O14N O13N -180.0(5) . .
N5N O15N O14N O13N 0.0(4) . .
N5N O13N O14N O15N 0.0(4) . .
