#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:45:27 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180447 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/16/7211606.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_7211606
loop_
_publ_author_name
'Wang, Zhao-Xi'
'Wu, Qiong-Fang'
'Liu, Hong-Jiang'
'Shao, Min'
'Xiao, Hong-Ping'
'Li, Ming-Xing'
_publ_section_title
;
 2D and 3D lanthanide coordination polymers constructed from
 benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary
 building units
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              1139
_journal_paper_doi               10.1039/b910701k
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C18 H14 La2 N4 O15 S'
_chemical_formula_sum            'C18 H14 La2 N4 O15 S'
_chemical_formula_weight         836.21
_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                91.012(2)
_cell_angle_beta                 107.625(2)
_cell_angle_gamma                118.626(2)
_cell_formula_units_Z            2
_cell_length_a                   9.6550(17)
_cell_length_b                   10.0259(18)
_cell_length_c                   14.313(3)
_cell_measurement_reflns_used    2794
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.31
_cell_measurement_theta_min      1.86
_cell_volume                     1136.9(4)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'SHELXTL(Bruker, 2002)'
_computing_publication_material  'SHELXTL(Bruker, 2002)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker APEX area-detector diffractometer'
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0191
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5858
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    3.890
_exptl_absorpt_correction_T_max  0.496
_exptl_absorpt_correction_T_min  0.390
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.126
_refine_diff_density_min         -1.047
_refine_diff_density_rms         0.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.232
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         3919
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.232
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0537
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+2.9715P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1336
_refine_ls_wR_factor_ref         0.1355
_reflns_number_gt                3495
_reflns_number_total             3919
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b910701k.txt
_cod_data_source_block           La
_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 2.4.2 from
2011-04-26.

'_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_database_code               7211606
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
O10 O 0.8617(11) 0.4645(10) -0.1528(7) 0.024(2) Uani 1 1 d .
O12 O 0.8967(10) 0.6348(9) -0.0162(6) 0.0174(17) Uani 1 1 d .
S1 S 0.7837(3) 0.4781(3) -0.0836(2) 0.0122(6) Uani 1 1 d .
O9 O 0.7778(11) 0.3687(9) -0.0134(6) 0.0213(19) Uani 1 1 d .
C1 C 0.7824(14) 0.1196(13) -0.2480(9) 0.015(2) Uani 1 1 d .
C2 C 0.6664(15) -0.0442(14) -0.2908(9) 0.017(2) Uani 1 1 d .
C3 C 0.5436(15) -0.0810(13) -0.3851(9) 0.018(3) Uani 1 1 d .
H3 H 0.5287 -0.0049 -0.4151 0.022 Uiso 1 1 calc R
C4 C 0.4439(15) -0.2374(14) -0.4325(9) 0.017(2) Uani 1 1 d .
C5 C 0.2739(17) -0.4615(15) -0.5326(10) 0.027(3) Uani 1 1 d .
H5 H 0.1915 -0.5367 -0.5888 0.033 Uiso 1 1 calc R
C6 C 0.4660(15) -0.3502(14) -0.3868(9) 0.021(3) Uani 1 1 d .
C7 C 0.5865(15) -0.3144(14) -0.2942(9) 0.021(3) Uani 1 1 d .
H7 H 0.6025 -0.3906 -0.2653 0.026 Uiso 1 1 calc R
C8 C 0.6838(14) -0.1605(13) -0.2453(8) 0.014(2) Uani 1 1 d .
C9 C 0.8157(13) -0.1340(13) -0.1483(8) 0.012(4) Uani 1.00(5) 1 d .
C10 C 0.5864(14) -0.0432(13) 0.1495(8) 0.014(4) Uani 1.00(5) 1 d U
C11 C 0.6817(14) -0.0028(14) 0.2571(8) 0.015(2) Uani 1 1 d .
C12 C 0.6472(14) -0.1261(14) 0.3053(9) 0.019(3) Uani 1 1 d .
H12 H 0.5722 -0.2277 0.2707 0.023 Uiso 1 1 calc R
C13 C 0.7298(14) -0.0918(13) 0.4085(9) 0.015(2) Uani 1 1 d .
C14 C 0.8438(16) -0.0883(15) 0.5662(9) 0.020(3) Uani 1 1 d .
H14 H 0.8701 -0.1245 0.6246 0.024 Uiso 1 1 calc R
C15 C 0.8365(14) 0.0596(14) 0.4617(8) 0.016(2) Uani 1 1 d .
C16 C 0.8685(14) 0.1854(13) 0.4128(9) 0.015(2) Uani 1 1 d .
H16 H 0.9372 0.2871 0.4481 0.018 Uiso 1 1 calc R
C17 C 0.7933(14) 0.1517(14) 0.3096(9) 0.016(2) Uani 1 1 d .
C18 C 0.8379(14) 0.2851(14) 0.2560(9) 0.017(2) Uani 1 1 d .
La1 La 0.82239(8) 0.13631(7) 0.01157(5) 0.01214(18) Uani 1 1 d .
La2 La 0.89847(8) 0.56350(7) 0.16130(5) 0.01316(19) Uani 1 1 d .
N1 N 0.3200(13) -0.3115(12) -0.5262(8) 0.023(2) Uani 1 1 d .
N2 N 0.3540(15) -0.4930(13) -0.4536(8) 0.032(3) Uani 1 1 d .
N4 N 0.7355(13) -0.1827(11) 0.4770(8) 0.019(2) Uani 1 1 d .
H4 H 0.6802 -0.2823 0.4656 0.023 Uiso 1 1 calc R
N3 N 0.9089(12) 0.0601(11) 0.5626(7) 0.017(2) Uani 1 1 d .
O1 O 0.8091(11) 0.2233(9) -0.2998(6) 0.024(2) Uani 1 1 d .
O2 O 0.8748(10) 0.1618(9) -0.1522(6) 0.0173(17) Uani 1 1 d .
O3 O 0.7860(11) -0.1081(9) -0.0659(6) 0.0207(18) Uani 1 1 d .
O4 O 0.9486(10) -0.1260(11) -0.1429(7) 0.025(2) Uani 1 1 d .
O5 O 0.6467(10) -0.0675(9) 0.0861(6) 0.0206(18) Uani 1 1 d .
O6 O 0.4522(10) -0.0359(10) 0.1188(7) 0.026(2) Uani 1 1 d .
O7 O 0.9097(12) 0.4196(10) 0.3046(7) 0.030(2) Uani 1 1 d .
O8 O 0.8087(10) 0.2627(9) 0.1618(6) 0.0184(18) Uani 1 1 d .
O11 O 0.6179(10) 0.4555(10) -0.1351(6) 0.0223(19) Uani 1 1 d .
O15 O 0.5793(12) 0.3988(12) 0.1150(9) 0.043(3) Uani 1 1 d .
H15A H 0.5555 0.3115 0.1316 0.051 Uiso 1 1 d R
H15B H 0.5398 0.4404 0.1432 0.051 Uiso 1 1 d R
O13 O 0.8435(12) 0.6712(11) 0.3008(7) 0.032(2) Uani 1 1 d .
H13B H 0.9341 0.7462 0.3422 0.038 Uiso 1 1 d R
H13A H 0.7959 0.6014 0.3317 0.038 Uiso 1 1 d R
O14 O 0.7566(14) 0.7184(12) 0.0956(8) 0.039(3) Uani 1 1 d .
H14A H 0.7650 0.7868 0.1365 0.047 Uiso 1 1 d R
H14B H 0.8003 0.7461 0.0509 0.047 Uiso 1 1 d R
H1 H 0.277(18) -0.288(16) -0.583(11) 0.03(4) Uiso 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'
La La -0.2871 2.4523 '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'
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
S1 O10 La2 142.3(5) . 2_765
S1 O12 La1 131.2(5) . 2_765
S1 O12 La2 101.7(4) . .
La1 O12 La2 113.5(3) 2_765 .
O11 S1 O10 112.0(5) . .
O11 S1 O9 111.3(5) . .
O10 S1 O9 110.5(5) . .
O11 S1 O12 110.4(5) . .
O10 S1 O12 108.9(5) . .
O9 S1 O12 103.5(5) . .
O11 S1 La2 112.2(4) . .
O10 S1 La2 135.7(4) . .
O9 S1 La2 53.9(3) . .
O12 S1 La2 51.8(3) . .
S1 O9 La1 140.7(5) . .
S1 O9 La2 99.6(4) . .
La1 O9 La2 112.1(3) . .
O1 C1 O2 117.7(10) . .
O1 C1 C2 123.0(11) . .
O2 C1 C2 119.1(10) . .
O1 C1 La2 60.9(6) . 2_765
O2 C1 La2 58.3(5) . 2_765
C2 C1 La2 163.0(8) . 2_765
C3 C2 C8 120.8(11) . .
C3 C2 C1 116.5(11) . .
C8 C2 C1 122.5(10) . .
C2 C3 C4 117.1(11) . .
C2 C3 H3 121.4 . .
C4 C3 H3 121.4 . .
N1 C4 C6 106.9(11) . .
N1 C4 C3 132.0(11) . .
C6 C4 C3 121.1(11) . .
N2 C5 N1 114.4(12) . .
N2 C5 H5 122.8 . .
N1 C5 H5 122.8 . .
C7 C6 C4 121.9(11) . .
C7 C6 N2 130.2(12) . .
C4 C6 N2 107.8(11) . .
C6 C7 C8 117.7(11) . .
C6 C7 H7 121.1 . .
C8 C7 H7 121.1 . .
C7 C8 C2 121.3(11) . .
C7 C8 C9 113.1(10) . .
C2 C8 C9 125.3(10) . .
O4 C9 O3 121.4(10) . .
O4 C9 C8 122.5(11) . .
O3 C9 C8 115.9(9) . .
O6 C10 O5 120.0(11) . .
O6 C10 C11 118.6(10) . .
O5 C10 C11 120.9(10) . .
C12 C11 C17 121.8(10) . .
C12 C11 C10 115.2(10) . .
C17 C11 C10 122.9(10) . .
C11 C12 C13 116.9(11) . .
C11 C12 H12 121.6 . .
C13 C12 H12 121.6 . .
N4 C13 C15 105.4(10) . .
N4 C13 C12 132.3(11) . .
C15 C13 C12 122.2(11) . .
N3 C14 N4 113.6(10) . .
N3 C14 H14 123.2 . .
N4 C14 H14 123.2 . .
C13 C15 N3 110.1(10) . .
C13 C15 C16 120.9(11) . .
N3 C15 C16 128.9(11) . .
C17 C16 C15 117.1(11) . .
C17 C16 H16 121.4 . .
C15 C16 H16 121.4 . .
C16 C17 C11 121.1(10) . .
C16 C17 C18 117.4(11) . .
C11 C17 C18 121.5(10) . .
O7 C18 O8 120.0(11) . .
O7 C18 C17 119.4(11) . .
O8 C18 C17 120.6(10) . .
O7 C18 La2 56.3(6) . .
O8 C18 La2 64.5(6) . .
C17 C18 La2 171.8(8) . .
O6 La1 O5 80.4(3) 2_655 .
O6 La1 O4 157.0(3) 2_655 2_755
O5 La1 O4 81.8(3) . 2_755
O6 La1 O3 80.5(3) 2_655 .
O5 La1 O3 74.5(3) . .
O4 La1 O3 80.7(3) 2_755 .
O6 La1 O2 73.8(3) 2_655 .
O5 La1 O2 138.0(3) . .
O4 La1 O2 111.4(3) 2_755 .
O3 La1 O2 69.1(3) . .
O6 La1 O8 105.6(3) 2_655 .
O5 La1 O8 71.1(3) . .
O4 La1 O8 82.1(3) 2_755 .
O3 La1 O8 143.3(3) . .
O2 La1 O8 147.6(3) . .
O6 La1 O12 127.0(3) 2_655 2_765
O5 La1 O12 152.5(3) . 2_765
O4 La1 O12 72.3(3) 2_755 2_765
O3 La1 O12 109.4(3) . 2_765
O2 La1 O12 63.2(3) . 2_765
O8 La1 O12 95.8(3) . 2_765
O6 La1 O9 73.7(3) 2_655 .
O5 La1 O9 118.7(3) . .
O4 La1 O9 128.2(3) 2_755 .
O3 La1 O9 147.8(3) . .
O2 La1 O9 85.2(3) . .
O8 La1 O9 64.4(3) . .
O12 La1 O9 73.1(3) 2_765 .
O10 La2 O7 84.6(3) 2_765 .
O10 La2 O14 138.9(3) 2_765 .
O7 La2 O14 134.8(3) . .
O10 La2 O15 139.2(3) 2_765 .
O7 La2 O15 84.5(3) . .
O14 La2 O15 69.0(3) . .
O10 La2 O13 134.1(3) 2_765 .
O7 La2 O13 68.9(3) . .
O14 La2 O13 69.6(3) . .
O15 La2 O13 76.4(3) . .
O10 La2 O2 74.6(3) 2_765 2_765
O7 La2 O2 128.2(3) . 2_765
O14 La2 O2 70.7(3) . 2_765
O15 La2 O2 139.5(3) . 2_765
O13 La2 O2 92.8(3) . 2_765
O10 La2 O12 80.9(3) 2_765 .
O7 La2 O12 159.6(3) . .
O14 La2 O12 63.3(3) . .
O15 La2 O12 97.2(3) . .
O13 La2 O12 131.3(3) . .
O2 La2 O12 61.0(2) 2_765 .
O10 La2 O1 68.7(3) 2_765 2_765
O7 La2 O1 79.1(3) . 2_765
O14 La2 O1 102.7(3) . 2_765
O15 La2 O1 146.0(3) . 2_765
O13 La2 O1 69.9(3) . 2_765
O2 La2 O1 49.3(2) 2_765 2_765
O12 La2 O1 108.5(2) . 2_765
O10 La2 O9 74.0(3) 2_765 .
O7 La2 O9 109.9(3) . .
O14 La2 O9 97.0(3) . .
O15 La2 O9 73.1(3) . .
O13 La2 O9 149.4(3) . .
O2 La2 O9 109.0(2) 2_765 .
O12 La2 O9 52.1(2) . .
O1 La2 O9 140.6(3) 2_765 .
O10 La2 O8 72.6(3) 2_765 .
O7 La2 O8 49.3(3) . .
O14 La2 O8 138.0(3) . .
O15 La2 O8 70.5(3) . .
O13 La2 O8 110.9(3) . .
O2 La2 O8 147.2(3) 2_765 .
O12 La2 O8 112.0(2) . .
O1 La2 O8 117.0(2) 2_765 .
O9 La2 O8 60.5(2) . .
O10 La2 C18 79.9(3) 2_765 .
O7 La2 C18 24.2(3) . .
O14 La2 C18 140.4(3) . .
O15 La2 C18 74.2(3) . .
O13 La2 C18 88.2(3) . .
O2 La2 C18 145.3(3) 2_765 .
O12 La2 C18 137.2(3) . .
O1 La2 C18 99.4(3) 2_765 .
O9 La2 C18 85.8(3) . .
O8 La2 C18 25.3(3) . .
O10 La2 C1 72.9(3) 2_765 2_765
O7 La2 C1 103.3(3) . 2_765
O14 La2 C1 84.5(3) . 2_765
O15 La2 C1 147.9(3) . 2_765
O13 La2 C1 77.5(3) . 2_765
O2 La2 C1 25.4(3) 2_765 2_765
O12 La2 C1 86.2(3) . 2_765
O1 La2 C1 24.3(3) 2_765 2_765
O9 La2 C1 129.9(3) . 2_765
O8 La2 C1 137.5(3) . 2_765
C18 La2 C1 123.4(3) . 2_765
C5 N1 C4 105.6(10) . .
C5 N1 H1 114(9) . .
C4 N1 H1 139(10) . .
C5 N2 C6 105.3(11) . .
C14 N4 C13 107.5(10) . .
C14 N4 H4 126.3 . .
C13 N4 H4 126.3 . .
C14 N3 C15 103.4(10) . .
C1 O1 La2 94.8(7) . 2_765
C1 O2 La1 136.8(7) . .
C1 O2 La2 96.3(6) . 2_765
La1 O2 La2 115.7(3) . 2_765
C9 O3 La1 127.8(7) . .
C9 O4 La1 135.6(8) . 2_755
C10 O5 La1 123.8(7) . .
C10 O6 La1 145.7(8) . 2_655
C18 O7 La2 99.4(7) . .
C18 O8 La1 149.7(8) . .
C18 O8 La2 90.2(7) . .
La1 O8 La2 112.9(3) . .
La2 O15 H15A 108.7 . .
La2 O15 H15B 113.1 . .
H15A O15 H15B 109.0 . .
La2 O13 H13B 111.5 . .
La2 O13 H13A 111.5 . .
H13B O13 H13A 109.4 . .
La2 O14 H14A 119.2 . .
La2 O14 H14B 95.3 . .
H14A O14 H14B 119.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O10 S1 1.454(9) .
O10 La2 2.499(8) 2_765
O12 S1 1.502(8) .
O12 La1 2.559(8) 2_765
O12 La2 2.649(8) .
S1 O11 1.445(8) .
S1 O9 1.494(8) .
S1 La2 3.299(3) .
O9 La1 2.576(8) .
O9 La2 2.703(9) .
C1 O1 1.258(14) .
C1 O2 1.317(14) .
C1 C2 1.454(16) .
C1 La2 3.048(11) 2_765
C2 C3 1.400(17) .
C2 C8 1.400(16) .
C3 C4 1.403(17) .
C3 H3 0.9300 .
C4 N1 1.387(15) .
C4 C6 1.387(17) .
C5 N2 1.301(17) .
C5 N1 1.340(17) .
C5 H5 0.9300 .
C6 C7 1.374(17) .
C6 N2 1.405(16) .
C7 C8 1.389(16) .
C7 H7 0.9300 .
C8 C9 1.488(15) .
C9 O4 1.224(13) .
C9 O3 1.344(14) .
C10 O6 1.274(14) .
C10 O5 1.291(14) .
C10 C11 1.465(15) .
C11 C12 1.376(17) .
C11 C17 1.412(16) .
C12 C13 1.393(17) .
C12 H12 0.9300 .
C13 N4 1.358(15) .
C13 C15 1.390(17) .
C14 N3 1.319(16) .
C14 N4 1.349(16) .
C14 H14 0.9300 .
C15 N3 1.400(15) .
C15 C16 1.402(16) .
C16 C17 1.387(16) .
C16 H16 0.9300 .
C17 C18 1.498(16) .
C18 O7 1.250(15) .
C18 O8 1.284(14) .
C18 La2 3.004(12) .
La1 O6 2.430(8) 2_655
La1 O5 2.458(8) .
La1 O4 2.479(8) 2_755
La1 O3 2.490(8) .
La1 O2 2.536(8) .
La1 O8 2.546(8) .
La1 O12 2.559(8) 2_765
La2 O10 2.499(8) 2_765
La2 O7 2.534(9) .
La2 O14 2.546(9) .
La2 O15 2.552(9) .
La2 O13 2.559(9) .
La2 O2 2.608(8) 2_765
La2 O1 2.674(9) 2_765
La2 O8 2.710(8) .
La2 C1 3.048(11) 2_765
N1 H1 0.89(15) .
N4 H4 0.8600 .
O1 La2 2.674(8) 2_765
O2 La2 2.608(8) 2_765
O4 La1 2.479(8) 2_755
O6 La1 2.430(8) 2_655
O15 H15A 0.8501 .
O15 H15B 0.8500 .
O13 H13B 0.8500 .
O13 H13A 0.8500 .
O14 H14A 0.8500 .
O14 H14B 0.8501 .
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
N1 H1 O1 0.89(15) 1.90(15) 2.792(14) 176(13) 2_654
O14 H14B O3 0.85 2.26 2.919(13) 134.9 1_565
O14 H14A O5 0.85 2.26 2.803(12) 122.1 1_565
O13 H13A N2 0.85 2.53 3.318(16) 154.4 2_655
O13 H13B N3 0.85 1.94 2.758(13) 161.5 2_766
O15 H15B O11 0.85 2.20 2.971(14) 150.7 2_665
N4 H4 N2 0.86 2.11 2.920(15) 156.6 2_645
O15 H15A O8 0.85 2.63 3.041(13) 111.0 .
O14 H14B O12 0.85 2.13 2.729(13) 127.2 .
