#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:45:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179126 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/88/4308804.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_4308804
loop_
_publ_author_name
'Sujit K. Ghosh'
'Parimal K. Bharadwaj'
_publ_section_title
;
Coordination Polymers of La(III) as Bunched Infinite Nanotubes and Their
Conversion into an Open-Framework Structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3156
_journal_page_last               3161
_journal_paper_doi               10.1021/ic048159q
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C21 H25 La2 N3 O20'
_chemical_formula_sum            'C21 H25 La2 N3 O20'
_chemical_formula_weight         917.26
_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                93.939(4)
_cell_angle_beta                 110.801(5)
_cell_angle_gamma                111.043(3)
_cell_formula_units_Z            2
_cell_length_a                   10.456(3)
_cell_length_b                   11.859(2)
_cell_length_c                   13.731(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22
_cell_measurement_theta_min      18
_cell_volume                     1447.4(6)
_computing_cell_refinement       CAD4
_computing_data_collection       'CAD4 Mach2'
_computing_data_reduction        SHELXL-97
_computing_molecular_graphics    'Diamond 2.1e'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Enraf-Nonius CAD4 Mach2'
_diffrn_measurement_method       'theta-2theta scan'
_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  0.0191
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4043
_diffrn_reflns_theta_full        22.54
_diffrn_reflns_theta_max         22.54
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        <0.05
_diffrn_standards_interval_time  1h
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.008
_exptl_absorpt_correction_T_max  0.8171
_exptl_absorpt_correction_T_min  0.6959
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.105
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.792
_refine_diff_density_min         -1.078
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         3794
_refine_ls_number_restraints     34
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0695P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0967
_reflns_number_gt                3208
_reflns_number_total             3794
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048159qsi20050221_093307_4.cif
_cod_data_source_block           Compound4
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1447.4(11)
_cod_database_code               4308804
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 0.36704(4) 0.06389(3) 0.36698(3) 0.01708(15) Uani 1 1 d . . .
La2 La -0.26951(4) -0.34310(3) 0.04259(3) 0.01644(15) Uani 1 1 d . . .
O1 O 0.1295(5) -0.0259(4) 0.1988(3) 0.0269(11) Uani 1 1 d . . .
O2 O -0.1218(5) -0.1127(4) 0.1169(4) 0.0295(11) Uani 1 1 d . . .
O3 O 0.3781(5) 0.1639(4) 0.5404(3) 0.0270(11) Uani 1 1 d . . .
O4 O 0.2827(6) 0.2281(5) 0.6422(4) 0.0385(13) Uani 1 1 d . . .
O5 O 0.4173(7) 0.4526(5) 0.3020(4) 0.0493(15) Uani 1 1 d . . .
O6 O 0.3394(5) 0.2522(4) 0.3033(3) 0.0295(11) Uani 1 1 d . . .
O7 O 0.6248(5) 0.0845(4) 0.4996(3) 0.0215(10) Uani 1 1 d . . .
O8 O 0.8461(5) 0.1825(4) 0.6308(4) 0.0309(11) Uani 1 1 d . . .
O9 O -0.0042(5) -0.3064(4) 0.0874(4) 0.0283(11) Uani 1 1 d . . .
O10 O 0.1995(5) -0.3431(4) 0.1412(4) 0.0325(12) Uani 1 1 d . . .
O11 O -0.4405(5) -0.5397(4) 0.0795(4) 0.0236(10) Uani 1 1 d . . .
O12 O -0.5119(5) -0.7282(4) 0.1074(4) 0.0405(13) Uani 1 1 d . . .
OW1 O 0.4849(7) 0.1028(5) 0.2322(4) 0.0372(13) Uani 1 1 d D . .
OW2 O 0.4089(6) -0.1230(4) 0.2938(4) 0.0276(11) Uani 1 1 d D . .
OW3 O -0.1473(6) -0.3077(5) 0.2482(4) 0.0349(12) Uani 1 1 d D . .
OW4 O -0.4267(6) -0.2765(5) 0.1279(4) 0.0385(13) Uani 1 1 d D . .
OW5 O -0.3322(5) -0.5140(4) -0.1129(4) 0.0252(11) Uani 1 1 d D . .
OW6 O -0.1784(6) -0.2368(5) -0.0903(4) 0.0348(12) Uani 1 1 d D . .
OW7 O 0.1423(8) -0.0873(7) -0.0006(5) 0.0615(18) Uani 1 1 d D . .
OW8 O 0.4494(11) -0.0772(8) 0.0666(6) 0.071(2) Uani 1 1 d D . .
N1 N 0.1200(6) 0.0718(5) 0.3731(4) 0.0210(12) Uani 1 1 d . . .
N2 N 0.6038(6) 0.2857(5) 0.4484(4) 0.0228(12) Uani 1 1 d . . .
N3 N -0.1683(6) -0.5155(5) 0.1158(4) 0.0169(11) Uani 1 1 d . . .
C1 C -0.0013(8) -0.0453(6) 0.1926(5) 0.0235(15) Uani 1 1 d . . .
C2 C -0.0075(7) 0.0218(6) 0.2869(5) 0.0231(15) Uani 1 1 d . . .
C3 C -0.1392(8) 0.0278(6) 0.2834(5) 0.0297(17) Uani 1 1 d . . .
H3 H -0.2282 -0.0109 0.2225 0.036 Uiso 1 1 calc R . .
C4 C -0.1341(8) 0.0923(7) 0.3721(6) 0.0333(18) Uani 1 1 d . . .
H4 H -0.2191 0.1012 0.3716 0.040 Uiso 1 1 calc R . .
C5 C -0.0019(8) 0.1436(6) 0.4619(6) 0.0308(17) Uani 1 1 d . . .
H5 H 0.0027 0.1866 0.5232 0.037 Uiso 1 1 calc R . .
C6 C 0.1244(8) 0.1315(6) 0.4613(5) 0.0262(16) Uani 1 1 d . . .
C7 C 0.2725(8) 0.1798(6) 0.5558(5) 0.0264(16) Uani 1 1 d . . .
C9 C 0.5893(8) 0.3847(6) 0.4158(5) 0.0302(17) Uani 1 1 d . . .
C8 C 0.4357(9) 0.3624(6) 0.3341(5) 0.0303(17) Uani 1 1 d . . .
C10 C 0.7057(9) 0.5009(7) 0.4543(7) 0.049(2) Uani 1 1 d . . .
H10 H 0.6922 0.5688 0.4299 0.059 Uiso 1 1 calc R . .
C11 C 0.8415(10) 0.5147(7) 0.5290(7) 0.059(3) Uani 1 1 d . . .
H11 H 0.9219 0.5921 0.5560 0.070 Uiso 1 1 calc R . .
C12 C 0.8576(8) 0.4116(7) 0.5640(6) 0.0398(19) Uani 1 1 d . . .
H12 H 0.9486 0.4185 0.6150 0.048 Uiso 1 1 calc R . .
C13 C 0.7358(8) 0.2991(6) 0.5216(5) 0.0285(16) Uani 1 1 d . . .
C14 C 0.7407(7) 0.1826(6) 0.5548(5) 0.0198(14) Uiso 1 1 d . . .
C15 C -0.4130(7) -0.6315(6) 0.1074(5) 0.0239(15) Uani 1 1 d . . .
C16 C -0.2547(7) -0.6182(6) 0.1346(5) 0.0215(15) Uani 1 1 d . . .
C17 C -0.2022(8) -0.7042(7) 0.1757(6) 0.0338(18) Uani 1 1 d . . .
H17 H -0.2649 -0.7759 0.1867 0.041 Uiso 1 1 calc R . .
C18 C -0.0544(8) -0.6798(7) 0.1996(6) 0.0381(19) Uani 1 1 d . . .
H18 H -0.0155 -0.7357 0.2270 0.046 Uiso 1 1 calc R . .
C19 C 0.0347(8) -0.5743(7) 0.1833(6) 0.0297(17) Uani 1 1 d . . .
H19 H 0.1353 -0.5567 0.2008 0.036 Uiso 1 1 calc R . .
C20 C -0.0243(7) -0.4930(6) 0.1406(5) 0.0219(15) Uani 1 1 d . . .
C21 C 0.0643(7) -0.3719(6) 0.1213(5) 0.0205(14) Uani 1 1 d . . .
H2W1 H 0.500(10) 0.156(5) 0.196(6) 0.06(3) Uiso 1 1 d D . .
H1W1 H 0.488(10) 0.043(5) 0.199(6) 0.06(3) Uiso 1 1 d D . .
H1W2 H 0.336(5) -0.184(4) 0.245(3) 0.016(17) Uiso 1 1 d D . .
H2W2 H 0.443(8) -0.166(5) 0.341(4) 0.06(3) Uiso 1 1 d D . .
H2W3 H -0.056(3) -0.270(5) 0.281(4) 0.004(15) Uiso 1 1 d D . .
H1W3 H -0.185(8) -0.283(7) 0.290(5) 0.05(2) Uiso 1 1 d D . .
H2W4 H -0.397(12) -0.233(9) 0.190(4) 0.10(4) Uiso 1 1 d D . .
H2W5 H -0.369(7) -0.502(6) -0.173(3) 0.03(2) Uiso 1 1 d D . .
H1W5 H -0.267(7) -0.542(7) -0.118(5) 0.05(3) Uiso 1 1 d D . .
H2W6 H -0.084(4) -0.185(6) -0.077(6) 0.06(3) Uiso 1 1 d D . .
H1W6 H -0.224(7) -0.243(8) -0.157(2) 0.08(3) Uiso 1 1 d D . .
H1W7 H 0.201(13) -0.121(12) 0.038(8) 0.14(6) Uiso 1 1 d D . .
H2W7 H 0.109(12) -0.064(11) 0.045(7) 0.11(5) Uiso 1 1 d D . .
H2W8 H 0.542(5) -0.057(15) 0.083(15) 0.20(9) Uiso 1 1 d D . .
H1W8 H 0.421(18) -0.154(3) 0.062(18) 0.27(12) Uiso 1 1 d D . .
H1W4 H -0.49(2) -0.348(8) 0.132(12) 0.35(15) Uiso 1 1 d 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'
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
_geom_angle_publ_flag
O1 La1 O6 76.13(15) . . ?
O1 La1 O3 122.17(15) . . ?
O6 La1 O3 85.08(15) . . ?
O1 La1 OW1 81.73(17) . . ?
O6 La1 OW1 73.23(16) . . ?
O3 La1 OW1 143.06(17) . . ?
O1 La1 O7 156.27(14) . . ?
O6 La1 O7 119.50(14) . . ?
O3 La1 O7 79.03(14) . . ?
OW1 La1 O7 86.02(16) . . ?
O1 La1 OW2 82.73(15) . . ?
O6 La1 OW2 135.73(15) . . ?
O3 La1 OW2 138.48(14) . . ?
OW1 La1 OW2 65.46(15) . . ?
O7 La1 OW2 73.69(14) . . ?
O1 La1 O7 112.85(14) . 2_656 ?
O6 La1 O7 154.27(14) . 2_656 ?
O3 La1 O7 69.66(14) . 2_656 ?
OW1 La1 O7 130.66(15) . 2_656 ?
O7 La1 O7 61.61(16) . 2_656 ?
OW2 La1 O7 69.98(14) . 2_656 ?
O1 La1 N1 61.35(15) . . ?
O6 La1 N1 71.15(15) . . ?
O3 La1 N1 60.82(15) . . ?
OW1 La1 N1 133.40(17) . . ?
O7 La1 N1 138.08(15) . . ?
OW2 La1 N1 129.62(16) . . ?
O7 La1 N1 91.58(14) 2_656 . ?
O1 La1 N2 134.23(15) . . ?
O6 La1 N2 60.63(15) . . ?
O3 La1 N2 70.79(15) . . ?
OW1 La1 N2 72.54(17) . . ?
O7 La1 N2 58.97(15) . . ?
OW2 La1 N2 117.54(16) . . ?
O7 La1 N2 112.66(15) 2_656 . ?
N1 La1 N2 112.84(16) . . ?
O1 La1 O8 67.61(14) . 2_656 ?
O6 La1 O8 134.61(14) . 2_656 ?
O3 La1 O8 91.68(14) . 2_656 ?
OW1 La1 O8 124.85(15) . 2_656 ?
O7 La1 O8 104.08(13) . 2_656 ?
OW2 La1 O8 66.06(14) . 2_656 ?
O7 La1 O8 45.31(13) 2_656 2_656 ?
N1 La1 O8 67.98(15) . 2_656 ?
N2 La1 O8 156.99(14) . 2_656 ?
O9 La2 O2 74.71(15) . . ?
O9 La2 OW6 69.14(16) . . ?
O2 La2 OW6 68.78(16) . . ?
O9 La2 OW5 85.45(15) . . ?
O2 La2 OW5 140.91(15) . . ?
OW6 La2 OW5 72.78(16) . . ?
O9 La2 OW3 74.73(16) . . ?
O2 La2 OW3 72.61(16) . . ?
OW6 La2 OW3 132.40(17) . . ?
OW5 La2 OW3 134.18(16) . . ?
O9 La2 O11 118.72(14) . . ?
O2 La2 O11 141.78(15) . . ?
OW6 La2 O11 148.38(16) . . ?
OW5 La2 O11 77.31(15) . . ?
OW3 La2 O11 76.99(15) . . ?
O9 La2 OW4 138.77(16) . . ?
O2 La2 OW4 75.38(16) . . ?
OW6 La2 OW4 123.55(18) . . ?
OW5 La2 OW4 134.83(16) . . ?
OW3 La2 OW4 69.66(17) . . ?
O11 La2 OW4 72.67(16) . . ?
O9 La2 O11 151.69(15) . 2_445 ?
O2 La2 O11 127.07(14) . 2_445 ?
OW6 La2 O11 99.92(15) . 2_445 ?
OW5 La2 O11 66.26(14) . 2_445 ?
OW3 La2 O11 125.67(15) . 2_445 ?
O11 La2 O11 57.81(16) . 2_445 ?
OW4 La2 O11 69.30(16) . 2_445 ?
O9 La2 N3 59.99(14) . . ?
O2 La2 N3 123.76(15) . . ?
OW6 La2 N3 117.30(16) . . ?
OW5 La2 N3 69.22(15) . . ?
OW3 La2 N3 65.05(16) . . ?
O11 La2 N3 58.87(14) . . ?
OW4 La2 N3 118.74(16) . . ?
O11 La2 N3 107.64(14) 2_445 . ?
O9 La2 O12 135.82(14) . 2_445 ?
O2 La2 O12 84.24(15) . 2_445 ?
OW6 La2 O12 67.09(16) . 2_445 ?
OW5 La2 O12 87.37(16) . 2_445 ?
OW3 La2 O12 134.88(16) . 2_445 ?
O11 La2 O12 101.90(13) . 2_445 ?
OW4 La2 O12 67.22(16) . 2_445 ?
O11 La2 O12 46.30(13) 2_445 2_445 ?
N3 La2 O12 151.86(15) . 2_445 ?
O9 La2 C15 154.38(16) . 2_445 ?
O2 La2 C15 103.91(17) . 2_445 ?
OW6 La2 C15 86.33(17) . 2_445 ?
OW5 La2 C15 80.11(16) . 2_445 ?
OW3 La2 C15 129.97(17) . 2_445 ?
O11 La2 C15 78.61(16) . 2_445 ?
OW4 La2 C15 61.58(17) . 2_445 ?
O11 La2 C15 23.78(16) 2_445 2_445 ?
N3 La2 C15 131.42(16) . 2_445 ?
O12 La2 C15 23.39(15) 2_445 2_445 ?
C1 O1 La1 125.8(4) . . ?
C1 O2 La2 135.5(4) . . ?
C7 O3 La1 127.1(4) . . ?
C8 O6 La1 128.0(4) . . ?
C14 O7 La1 128.5(4) . . ?
C14 O7 La1 102.0(4) . 2_656 ?
La1 O7 La1 118.39(16) . 2_656 ?
C14 O8 La1 86.2(4) . 2_656 ?
C21 O9 La2 130.6(4) . . ?
C15 O11 La2 128.5(4) . . ?
C15 O11 La2 99.4(4) . 2_445 ?
La2 O11 La2 122.19(16) . 2_445 ?
C15 O12 La2 87.6(4) . 2_445 ?
C2 N1 C6 119.4(6) . . ?
C2 N1 La1 119.9(4) . . ?
C6 N1 La1 120.6(4) . . ?
C9 N2 C13 118.7(6) . . ?
C9 N2 La1 119.5(4) . . ?
C13 N2 La1 121.8(4) . . ?
C16 N3 C20 118.6(5) . . ?
C16 N3 La2 122.3(4) . . ?
C20 N3 La2 118.9(4) . . ?
O2 C1 O1 126.4(6) . . ?
O2 C1 C2 117.9(6) . . ?
O1 C1 C2 115.8(6) . . ?
N1 C2 C3 122.8(6) . . ?
N1 C2 C1 115.2(6) . . ?
C3 C2 C1 122.0(6) . . ?
C4 C3 C2 118.1(7) . . ?
C3 C4 C5 119.1(7) . . ?
C4 C5 C6 120.0(7) . . ?
N1 C6 C5 120.6(7) . . ?
N1 C6 C7 115.0(6) . . ?
C5 C6 C7 124.4(6) . . ?
O4 C7 O3 124.9(7) . . ?
O4 C7 C6 118.9(6) . . ?
O3 C7 C6 116.2(6) . . ?
N2 C9 C10 122.5(7) . . ?
N2 C9 C8 115.6(6) . . ?
C10 C9 C8 121.9(6) . . ?
O5 C8 O6 126.1(7) . . ?
O5 C8 C9 117.6(6) . . ?
O6 C8 C9 116.2(6) . . ?
C11 C10 C9 118.8(7) . . ?
C10 C11 C12 119.1(7) . . ?
C13 C12 C11 118.3(7) . . ?
N2 C13 C12 122.5(7) . . ?
N2 C13 C14 114.9(6) . . ?
C12 C13 C14 122.6(7) . . ?
O8 C14 O7 122.7(6) . . ?
O8 C14 C13 122.6(6) . . ?
O7 C14 C13 114.7(5) . . ?
O12 C15 O11 122.1(6) . . ?
O12 C15 C16 121.9(6) . . ?
O11 C15 C16 115.9(6) . . ?
O12 C15 La2 69.0(4) . 2_445 ?
O11 C15 La2 56.8(3) . 2_445 ?
C16 C15 La2 155.3(4) . 2_445 ?
N3 C16 C17 122.6(6) . . ?
N3 C16 C15 114.0(5) . . ?
C17 C16 C15 123.4(6) . . ?
C18 C17 C16 117.8(6) . . ?
C19 C18 C17 119.9(6) . . ?
C18 C19 C20 119.8(6) . . ?
N3 C20 C19 121.3(6) . . ?
N3 C20 C21 114.2(5) . . ?
C19 C20 C21 124.5(6) . . ?
O9 C21 O10 124.7(6) . . ?
O9 C21 C20 116.3(5) . . ?
O10 C21 C20 118.9(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La1 O1 2.515(5) . ?
La1 O6 2.528(4) . ?
La1 O3 2.532(4) . ?
La1 OW1 2.547(5) . ?
La1 O7 2.573(4) . ?
La1 OW2 2.611(5) . ?
La1 O7 2.627(4) 2_656 ?
La1 N1 2.649(5) . ?
La1 N2 2.693(5) . ?
La1 O8 2.982(5) 2_656 ?
La2 O9 2.479(5) . ?
La2 O2 2.522(5) . ?
La2 OW6 2.553(5) . ?
La2 OW5 2.560(4) . ?
La2 OW3 2.583(5) . ?
La2 O11 2.589(4) . ?
La2 OW4 2.622(5) . ?
La2 O11 2.642(4) 2_445 ?
La2 N3 2.719(5) . ?
La2 O12 2.909(5) 2_445 ?
La2 C15 3.113(7) 2_445 ?
O1 C1 1.272(8) . ?
O2 C1 1.240(8) . ?
O3 C7 1.268(8) . ?
O4 C7 1.233(8) . ?
O5 C8 1.236(8) . ?
O6 C8 1.256(8) . ?
O7 C14 1.269(7) . ?
O7 La1 2.627(4) 2_656 ?
O8 C14 1.221(7) . ?
O8 La1 2.982(5) 2_656 ?
O9 C21 1.242(8) . ?
O10 C21 1.247(8) . ?
O11 C15 1.272(8) . ?
O11 La2 2.642(4) 2_445 ?
O12 C15 1.237(8) . ?
O12 La2 2.909(5) 2_445 ?
N1 C2 1.321(8) . ?
N1 C6 1.337(8) . ?
N2 C9 1.325(8) . ?
N2 C13 1.332(9) . ?
N3 C16 1.335(8) . ?
N3 C20 1.338(8) . ?
C1 C2 1.507(9) . ?
C2 C3 1.388(9) . ?
C3 C4 1.366(10) . ?
C4 C5 1.373(10) . ?
C5 C6 1.380(10) . ?
C6 C7 1.498(10) . ?
C9 C10 1.378(10) . ?
C9 C8 1.510(10) . ?
C10 C11 1.368(12) . ?
C11 C12 1.388(11) . ?
C12 C13 1.374(10) . ?
C13 C14 1.496(9) . ?
C15 C16 1.507(9) . ?
C15 La2 3.113(7) 2_445 ?
C16 C17 1.385(9) . ?
C17 C18 1.373(10) . ?
C18 C19 1.354(10) . ?
C19 C20 1.379(9) . ?
C20 C21 1.505(9) . ?
