#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:32:33 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179584 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/49/4504990.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_4504990
loop_
_publ_author_name
'Lü, Jian'
'Shen, Enhong'
'Li, Yangguang'
'Xiao, Dongrong'
'Wang, Enbo'
'Xu, Lin'
_publ_section_title
;
 A Novel Pillar-Layered Organic−Inorganic Hybrid Based on
 Lanthanide Polymer and Polyomolybdate Clusters:  New Opportunity
 toward the Design and Synthesis of Porous Framework
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              65
_journal_paper_doi               10.1021/cg049732j
_journal_volume                  5
_journal_year                    2005
_chemical_formula_sum            'C28 H56 La4 Mo8 N4 O64'
_chemical_formula_weight         2795.93
_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                94.22(3)
_cell_angle_beta                 109.01(3)
_cell_angle_gamma                115.57(3)
_cell_formula_units_Z            1
_cell_length_a                   11.552(2)
_cell_length_b                   12.742(3)
_cell_length_c                   14.589(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1772.8(10)
_computing_cell_refinement       'Rapid Auto'
_computing_data_collection       'Rapid Auto'
_computing_data_reduction        'Rapid Auto'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_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  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13008
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.842
_exptl_absorpt_correction_T_max  0.292
_exptl_absorpt_correction_T_min  0.186
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8 March, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.926
_refine_diff_density_min         -1.026
_refine_diff_density_rms         0.227
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         8012
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0540P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0800
_refine_ls_wR_factor_ref         0.0832
_reflns_number_gt                7160
_reflns_number_total             8012
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg049732jsi20040802_030903.cif
_cod_data_source_block           lj06a
_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.

'_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1772.9(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4504990
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
La1 La 0.88151(2) 0.451697(17) 0.831110(14) 0.01374(6) Uani 1 1 d .
La2 La 0.73449(2) 0.524379(19) 0.443686(15) 0.01875(7) Uani 1 1 d .
Mo1 Mo 0.87277(4) 0.92697(3) 0.72809(2) 0.02704(9) Uani 1 1 d .
Mo2 Mo 0.87802(4) 1.12568(3) 0.88441(2) 0.01967(8) Uani 1 1 d .
Mo3 Mo 0.84925(3) 0.75930(3) 0.88604(2) 0.01882(8) Uani 1 1 d .
Mo4 Mo 0.85370(3) 0.95644(3) 1.03809(2) 0.01732(8) Uani 1 1 d .
O1 O 0.8746(3) 0.5416(3) 0.6775(2) 0.0261(6) Uani 1 1 d .
O2 O 0.9694(3) 0.6551(3) 0.5873(2) 0.0325(7) Uani 1 1 d .
O3 O 1.1163(3) 0.5477(2) 0.98793(19) 0.0212(5) Uani 1 1 d .
O4 O 1.3082(3) 0.7070(3) 1.0959(2) 0.0260(6) Uani 1 1 d .
O5 O 0.9087(3) 0.5619(3) 0.3652(2) 0.0313(7) Uani 1 1 d .
O6 O 0.9873(3) 0.6057(3) 0.2456(2) 0.0281(6) Uani 1 1 d .
O7 O 0.5063(3) 0.5236(3) 0.3561(2) 0.0291(6) Uani 1 1 d .
O8 O 0.3583(3) 0.5601(3) 0.2390(2) 0.0261(6) Uani 1 1 d .
O9 O 0.6946(4) 0.8622(3) 0.6786(3) 0.0437(8) Uani 1 1 d .
O10 O 0.8814(3) 0.6399(2) 0.8970(2) 0.0260(6) Uani 1 1 d .
O11 O 0.8958(3) 0.9527(2) 0.90278(19) 0.0200(5) Uani 1 1 d .
O12 O 0.7007(3) 1.0514(3) 0.8353(2) 0.0347(7) Uani 1 1 d .
O13 O 0.9163(4) 0.9278(3) 0.6272(2) 0.0433(9) Uani 1 1 d .
O14 O 0.9153(3) 1.0896(2) 0.77243(19) 0.0263(6) Uani 1 1 d .
O15 O 0.8886(3) 0.7931(3) 0.7726(2) 0.0268(6) Uani 1 1 d .
O16 O 0.8945(3) 0.9835(3) 1.1664(2) 0.0262(6) Uani 1 1 d .
O17 O 0.9230(3) 0.2740(2) 0.8919(2) 0.0241(6) Uani 1 1 d .
O18 O 0.6785(3) 0.8900(3) 0.9846(2) 0.0309(6) Uani 1 1 d .
O19 O 0.8857(3) 0.8185(2) 1.02651(19) 0.0183(5) Uani 1 1 d .
O20 O 0.9076(3) 1.1195(2) 1.02553(19) 0.0201(5) Uani 1 1 d .
O21 O 0.6721(3) 0.6976(3) 0.8376(2) 0.0306(7) Uani 1 1 d .
OW1 O 0.7004(3) 0.2696(3) 0.6806(2) 0.0372(7) Uani 1 1 d .
HW1A H 0.6251 0.2209 0.6841 0.045 Uiso 1 1 d R
HW1B H 0.7427 0.2418 0.6494 0.045 Uiso 1 1 d R
OW2 O 0.6809(3) 0.6245(3) 0.5725(2) 0.0341(7) Uani 1 1 d .
HW2A H 0.7408 0.6735 0.6364 0.041 Uiso 1 1 d R
HW2B H 0.6163 0.6597 0.5458 0.041 Uiso 1 1 d R
OW3 O 0.5722(4) 0.3544(3) 0.5056(2) 0.0390(8) Uani 1 1 d .
HW3A H 0.6135 0.3399 0.5568 0.047 Uiso 1 1 d R
HW3B H 0.5826 0.4118 0.5299 0.047 Uiso 1 1 d R
OW4 O 0.8344(3) 0.3797(3) 0.4870(2) 0.0328(7) Uani 1 1 d .
HW4A H 0.9059 0.3762 0.5377 0.039 Uiso 1 1 d R
HW4B H 0.8766 0.4152 0.4377 0.039 Uiso 1 1 d R
OW5 O 0.5899(4) 0.3265(3) 0.3048(2) 0.0398(8) Uani 1 1 d .
HW5A H 0.5224 0.3175 0.2547 0.048 Uiso 1 1 d R
HW5B H 0.6025 0.2610 0.3226 0.048 Uiso 1 1 d R
OW6 O 0.8230(4) 0.7517(3) 0.4486(2) 0.0465(9) Uani 1 1 d .
HW6A H 0.8036 0.7923 0.4025 0.056 Uiso 1 1 d R
HW6B H 0.8366 0.7852 0.5152 0.056 Uiso 1 1 d R
OW7 O 0.7173(11) 0.1007(8) 0.5695(6) 0.173(4) Uani 1 1 d .
HW7A H 0.6280 0.0597 0.5906 0.208 Uiso 1 1 d R
HW7B H 0.7191 0.0809 0.6476 0.208 Uiso 1 1 d R
OW8 O 0.1314(7) -0.0980(6) 0.5290(5) 0.135(3) Uani 1 1 d .
HW8A H 0.0534 -0.1641 0.5442 0.162 Uiso 1 1 d R
HW8B H 0.1012 -0.0608 0.5149 0.162 Uiso 1 1 d R
OW9 O 0.5500(5) 0.1037(5) 0.3627(4) 0.0837(15) Uani 1 1 d .
HW9A H 0.5481 0.1494 0.4169 0.100 Uiso 1 1 d R
HW9B H 0.5431 0.1706 0.3376 0.100 Uiso 1 1 d R
OW10 O 0.7740(4) 0.8886(4) 0.3168(3) 0.0609(11) Uani 1 1 d .
H100 H 0.8565 0.9323 0.3083 0.073 Uiso 1 1 d R
H101 H 0.7909 0.9251 0.3747 0.073 Uiso 1 1 d R
OW11 O 0.5218(4) -0.1152(4) 0.2661(3) 0.0540(10) Uani 1 1 d .
H110 H 0.4217 -0.1578 0.2184 0.065 Uiso 1 1 d R
H111 H 0.5320 -0.0360 0.2995 0.065 Uiso 1 1 d R
N1 N 1.1105(3) 0.6533(3) 0.8400(2) 0.0190(6) Uani 1 1 d .
N2 N 0.6778(3) 0.5694(3) 0.2650(2) 0.0172(6) Uani 1 1 d .
C1 C 1.1077(4) 0.6987(4) 0.7604(3) 0.0217(7) Uani 1 1 d .
C2 C 1.2194(5) 0.8021(4) 0.7620(3) 0.0344(10) Uani 1 1 d .
H2A H 1.2135 0.8327 0.7057 0.041 Uiso 1 1 calc R
C3 C 1.3406(5) 0.8596(4) 0.8489(3) 0.0439(13) Uani 1 1 d .
H3A H 1.4181 0.9283 0.8515 0.053 Uiso 1 1 calc R
C4 C 1.3438(5) 0.8129(4) 0.9312(3) 0.0322(10) Uani 1 1 d .
H4A H 1.4232 0.8500 0.9907 0.039 Uiso 1 1 calc R
C5 C 1.2272(4) 0.7100(3) 0.9242(3) 0.0211(7) Uani 1 1 d .
C6 C 0.9739(4) 0.6271(4) 0.6687(3) 0.0227(8) Uani 1 1 d .
C7 C 1.2188(4) 0.6524(3) 1.0089(3) 0.0185(7) Uani 1 1 d .
C8 C 0.5612(4) 0.5769(3) 0.2187(3) 0.0190(7) Uani 1 1 d .
C9 C 0.5337(4) 0.6081(4) 0.1283(3) 0.0268(8) Uani 1 1 d .
H9B H 0.4523 0.6127 0.0974 0.032 Uiso 1 1 calc R
C10 C 0.6297(5) 0.6326(4) 0.0845(3) 0.0315(9) Uani 1 1 d .
H10B H 0.6147 0.6560 0.0247 0.038 Uiso 1 1 calc R
C11 C 0.7473(4) 0.6217(4) 0.1305(3) 0.0263(8) Uani 1 1 d .
H11B H 0.8112 0.6343 0.1013 0.032 Uiso 1 1 calc R
C12 C 0.7677(4) 0.5912(3) 0.2221(3) 0.0186(7) Uani 1 1 d .
C13 C 0.4661(4) 0.5516(3) 0.2751(3) 0.0193(7) Uani 1 1 d .
C14 C 0.8979(4) 0.5851(3) 0.2812(3) 0.0209(7) Uani 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'
Mo Mo -1.6832 0.6857 '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
O6 La1 O10 138.46(10) 2_766 .
O6 La1 O8 133.24(10) 2_766 2_666
O10 La1 O8 66.28(10) . 2_666
O6 La1 OW1 72.99(11) 2_766 .
O10 La1 OW1 131.52(10) . .
O8 La1 OW1 66.71(11) 2_666 .
O6 La1 O1 73.27(9) 2_766 .
O10 La1 O1 81.04(9) . .
O8 La1 O1 74.90(9) 2_666 .
OW1 La1 O1 76.10(10) . .
O6 La1 O3 82.87(9) 2_766 .
O10 La1 O3 81.33(10) . .
O8 La1 O3 143.13(9) 2_666 .
OW1 La1 O3 147.04(10) . .
O1 La1 O3 118.34(9) . .
O6 La1 O3 129.06(9) 2_766 2_767
O10 La1 O3 71.91(9) . 2_767
O8 La1 O3 92.92(9) 2_666 2_767
OW1 La1 O3 121.69(10) . 2_767
O1 La1 O3 152.94(9) . 2_767
O3 La1 O3 59.19(10) . 2_767
O6 La1 O17 66.40(9) 2_766 .
O10 La1 O17 141.09(8) . .
O8 La1 O17 123.68(10) 2_666 .
OW1 La1 O17 77.62(10) . .
O1 La1 O17 136.68(9) . .
O3 La1 O17 72.23(9) . .
O3 La1 O17 70.14(9) 2_767 .
O6 La1 N1 70.31(10) 2_766 .
O10 La1 N1 68.61(10) . .
O8 La1 N1 119.26(10) 2_666 .
OW1 La1 N1 128.55(10) . .
O1 La1 N1 59.67(10) . .
O3 La1 N1 58.84(9) . .
O3 La1 N1 109.36(10) 2_767 .
O17 La1 N1 117.03(9) . .
O6 La1 O4 123.48(9) 2_766 2_767
O10 La1 O4 97.34(9) . 2_767
O8 La1 O4 67.09(9) 2_666 2_767
OW1 La1 O4 74.67(10) . 2_767
O1 La1 O4 138.74(9) . 2_767
O3 La1 O4 101.90(8) . 2_767
O3 La1 O4 47.52(9) 2_767 2_767
O17 La1 O4 62.19(9) . 2_767
N1 La1 O4 156.77(9) . 2_767
O6 La1 C7 126.23(9) 2_766 2_767
O10 La1 C7 87.69(10) . 2_767
O8 La1 C7 82.61(10) 2_666 2_767
OW1 La1 C7 97.50(11) . 2_767
O1 La1 C7 157.36(9) . 2_767
O3 La1 C7 78.80(9) . 2_767
O3 La1 C7 24.19(9) 2_767 2_767
O17 La1 C7 59.91(9) . 2_767
N1 La1 C7 133.31(10) . 2_767
O4 La1 C7 23.96(9) 2_767 2_767
O5 La2 O7 122.33(9) . .
O5 La2 O2 75.86(10) . .
O7 La2 O2 139.46(11) . .
O5 La2 OW2 143.16(11) . .
O7 La2 OW2 70.71(10) . .
O2 La2 OW2 75.17(11) . .
O5 La2 OW5 82.47(11) . .
O7 La2 OW5 76.97(11) . .
O2 La2 OW5 143.57(11) . .
OW2 La2 OW5 133.71(11) . .
O5 La2 OW4 72.82(10) . .
O7 La2 OW4 141.19(11) . .
O2 La2 OW4 76.07(11) . .
OW2 La2 OW4 120.68(10) . .
OW5 La2 OW4 69.66(10) . .
O5 La2 OW6 79.38(12) . .
O7 La2 OW6 79.11(12) . .
O2 La2 OW6 68.63(12) . .
OW2 La2 OW6 69.17(11) . .
OW5 La2 OW6 135.42(10) . .
OW4 La2 OW6 139.31(12) . .
O5 La2 OW3 140.14(11) . .
O7 La2 OW3 80.18(10) . .
O2 La2 OW3 109.45(10) . .
OW2 La2 OW3 71.99(11) . .
OW5 La2 OW3 70.54(11) . .
OW4 La2 OW3 70.58(10) . .
OW6 La2 OW3 140.17(12) . .
O5 La2 N2 61.44(9) . .
O7 La2 N2 60.90(9) . .
O2 La2 N2 121.56(10) . .
OW2 La2 N2 118.10(10) . .
OW5 La2 N2 69.56(10) . .
OW4 La2 N2 121.19(9) . .
OW6 La2 N2 65.97(10) . .
OW3 La2 N2 128.97(11) . .
O13 Mo1 O9 104.96(18) . .
O13 Mo1 O14 103.87(14) . .
O9 Mo1 O14 98.34(15) . .
O13 Mo1 O15 102.62(14) . .
O9 Mo1 O15 98.01(16) . .
O14 Mo1 O15 143.92(11) . .
O13 Mo1 O16 90.03(15) . 2_777
O9 Mo1 O16 165.01(14) . 2_777
O14 Mo1 O16 77.81(12) . 2_777
O15 Mo1 O16 78.12(12) . 2_777
O13 Mo1 O11 160.51(15) . .
O9 Mo1 O11 94.48(14) . .
O14 Mo1 O11 74.16(10) . .
O15 Mo1 O11 72.67(10) . .
O16 Mo1 O11 70.53(10) 2_777 .
O12 Mo2 O17 104.89(15) . 1_565
O12 Mo2 O14 101.39(15) . .
O17 Mo2 O14 100.30(12) 1_565 .
O12 Mo2 O20 97.48(14) . .
O17 Mo2 O20 101.06(12) 1_565 .
O14 Mo2 O20 146.66(11) . .
O12 Mo2 O11 93.80(13) . .
O17 Mo2 O11 161.16(12) 1_565 .
O14 Mo2 O11 77.80(10) . .
O20 Mo2 O11 73.73(10) . .
O12 Mo2 O19 163.43(12) . 2_777
O17 Mo2 O19 89.78(12) 1_565 2_777
O14 Mo2 O19 83.11(12) . 2_777
O20 Mo2 O19 71.71(10) . 2_777
O11 Mo2 O19 71.38(10) . 2_777
O12 Mo2 Mo4 85.14(11) . .
O17 Mo2 Mo4 135.40(9) 1_565 .
O14 Mo2 Mo4 120.52(8) . .
O20 Mo2 Mo4 34.40(7) . .
O11 Mo2 Mo4 42.72(6) . .
O19 Mo2 Mo4 78.92(7) 2_777 .
O21 Mo3 O10 105.29(15) . .
O21 Mo3 O15 101.42(14) . .
O10 Mo3 O15 99.52(13) . .
O21 Mo3 O19 98.15(14) . .
O10 Mo3 O19 99.43(12) . .
O15 Mo3 O19 147.98(12) . .
O21 Mo3 O11 96.33(13) . .
O10 Mo3 O11 158.22(13) . .
O15 Mo3 O11 78.28(11) . .
O19 Mo3 O11 74.57(10) . .
O21 Mo3 O20 166.68(12) . 2_777
O10 Mo3 O20 85.46(12) . 2_777
O15 Mo3 O20 84.16(12) . 2_777
O19 Mo3 O20 71.90(11) . 2_777
O11 Mo3 O20 72.77(10) . 2_777
O21 Mo3 Mo4 86.47(11) . .
O10 Mo3 Mo4 134.64(9) . .
O15 Mo3 Mo4 121.29(9) . .
O19 Mo3 Mo4 35.22(7) . .
O11 Mo3 Mo4 43.03(6) . .
O20 Mo3 Mo4 80.32(7) 2_777 .
O18 Mo4 O16 104.73(15) . .
O18 Mo4 O20 102.25(14) . .
O16 Mo4 O20 98.18(13) . .
O18 Mo4 O19 101.56(14) . .
O16 Mo4 O19 96.76(12) . .
O20 Mo4 O19 147.53(11) . .
O18 Mo4 O11 98.94(13) . .
O16 Mo4 O11 156.28(12) . .
O20 Mo4 O11 78.07(10) . .
O19 Mo4 O11 76.69(10) . .
O18 Mo4 O11 173.91(12) . 2_777
O16 Mo4 O11 81.32(12) . 2_777
O20 Mo4 O11 77.30(11) . 2_777
O19 Mo4 O11 76.69(10) . 2_777
O11 Mo4 O11 74.99(11) . 2_777
O18 Mo4 Mo3 90.07(11) . .
O16 Mo4 Mo3 132.33(9) . .
O20 Mo4 Mo3 122.97(8) . .
O19 Mo4 Mo3 35.58(7) . .
O11 Mo4 Mo3 44.92(7) . .
O11 Mo4 Mo3 85.18(7) 2_777 .
O18 Mo4 Mo2 90.85(11) . .
O16 Mo4 Mo2 133.62(9) . .
O20 Mo4 Mo2 35.44(8) . .
O19 Mo4 Mo2 122.93(7) . .
O11 Mo4 Mo2 46.29(7) . .
O11 Mo4 Mo2 85.34(7) 2_777 .
Mo3 Mo4 Mo2 90.01(2) . .
C6 O1 La1 126.9(2) . .
C6 O2 La2 112.9(3) . .
C7 O3 La1 126.2(2) . .
C7 O3 La1 97.8(2) . 2_767
La1 O3 La1 120.81(10) . 2_767
C7 O4 La1 88.8(2) . 2_767
C14 O5 La2 126.5(2) . .
C14 O6 La1 153.9(3) . 2_766
C13 O7 La2 128.1(2) . .
C13 O8 La1 171.9(3) . 2_666
Mo3 O10 La1 154.64(15) . .
Mo4 O11 Mo3 92.06(9) . .
Mo4 O11 Mo2 90.99(9) . .
Mo3 O11 Mo2 163.30(13) . .
Mo4 O11 Mo4 105.01(11) . 2_777
Mo3 O11 Mo4 97.55(10) . 2_777
Mo2 O11 Mo4 97.51(10) . 2_777
Mo4 O11 Mo1 164.05(13) . .
Mo3 O11 Mo1 87.11(9) . .
Mo2 O11 Mo1 85.47(8) . .
Mo4 O11 Mo1 90.88(9) 2_777 .
Mo2 O14 Mo1 116.96(14) . .
Mo3 O15 Mo1 117.03(14) . .
Mo4 O16 Mo1 117.26(14) . 2_777
Mo2 O17 La1 153.54(15) 1_545 .
Mo4 O19 Mo3 109.21(12) . .
Mo4 O19 Mo2 111.30(12) . 2_777
Mo3 O19 Mo2 104.43(11) . 2_777
Mo4 O20 Mo2 110.16(13) . .
Mo4 O20 Mo3 109.45(12) . 2_777
Mo2 O20 Mo3 103.71(11) . 2_777
C1 N1 C5 118.3(3) . .
C1 N1 La1 120.4(3) . .
C5 N1 La1 121.3(2) . .
C12 N2 C8 118.8(3) . .
C12 N2 La2 120.3(2) . .
C8 N2 La2 120.8(2) . .
N1 C1 C2 122.5(4) . .
N1 C1 C6 114.4(3) . .
C2 C1 C6 123.1(3) . .
C1 C2 C3 119.0(4) . .
C4 C3 C2 118.6(4) . .
C3 C4 C5 119.0(4) . .
N1 C5 C4 122.6(3) . .
N1 C5 C7 113.9(3) . .
C4 C5 C7 123.5(3) . .
O1 C6 O2 123.6(4) . .
O1 C6 C1 118.1(3) . .
O2 C6 C1 118.3(4) . .
O4 C7 O3 122.7(3) . .
O4 C7 C5 120.4(4) . .
O3 C7 C5 116.9(3) . .
O4 C7 La1 67.3(2) . 2_767
O3 C7 La1 58.04(18) . 2_767
C5 C7 La1 161.0(2) . 2_767
N2 C8 C9 121.9(3) . .
N2 C8 C13 114.6(3) . .
C9 C8 C13 123.5(3) . .
C8 C9 C10 118.8(4) . .
C11 C10 C9 119.4(4) . .
C10 C11 C12 118.0(4) . .
N2 C12 C11 123.0(3) . .
N2 C12 C14 115.2(3) . .
C11 C12 C14 121.8(3) . .
O8 C13 O7 125.9(3) . .
O8 C13 C8 118.7(3) . .
O7 C13 C8 115.3(3) . .
O6 C14 O5 124.8(4) . .
O6 C14 C12 118.5(3) . .
O5 C14 C12 116.6(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O6 2.455(3) 2_766
La1 O10 2.518(3) .
La1 O8 2.553(3) 2_666
La1 OW1 2.578(4) .
La1 O1 2.585(3) .
La1 O3 2.602(3) .
La1 O3 2.631(3) 2_767
La1 O17 2.664(3) .
La1 N1 2.734(3) .
La1 O4 2.835(3) 2_767
La1 C7 3.073(4) 2_767
La2 O5 2.518(3) .
La2 O7 2.522(3) .
La2 O2 2.532(3) .
La2 OW2 2.575(3) .
La2 OW5 2.581(4) .
La2 OW4 2.581(3) .
La2 OW6 2.609(3) .
La2 OW3 2.629(3) .
La2 N2 2.642(3) .
Mo1 O13 1.703(3) .
Mo1 O9 1.708(4) .
Mo1 O14 1.916(3) .
Mo1 O15 1.928(3) .
Mo1 O16 2.302(3) 2_777
Mo1 O11 2.456(3) .
Mo2 O12 1.696(3) .
Mo2 O17 1.715(3) 1_565
Mo2 O14 1.893(3) .
Mo2 O20 1.988(3) .
Mo2 O11 2.326(3) .
Mo2 O19 2.350(3) 2_777
Mo2 Mo4 3.2180(10) .
Mo3 O21 1.701(3) .
Mo3 O10 1.722(3) .
Mo3 O15 1.886(3) .
Mo3 O19 1.970(3) .
Mo3 O11 2.259(3) .
Mo3 O20 2.354(3) 2_777
Mo3 Mo4 3.1980(11) .
Mo4 O18 1.678(3) .
Mo4 O16 1.742(3) .
Mo4 O20 1.937(3) .
Mo4 O19 1.953(2) .
Mo4 O11 2.184(2) .
Mo4 O11 2.407(3) 2_777
O1 C6 1.248(5) .
O2 C6 1.257(4) .
O3 C7 1.271(5) .
O3 La1 2.631(3) 2_767
O4 C7 1.248(5) .
O4 La1 2.835(3) 2_767
O5 C14 1.261(4) .
O6 C14 1.240(4) .
O6 La1 2.455(3) 2_766
O7 C13 1.261(4) .
O8 C13 1.239(4) .
O8 La1 2.553(3) 2_666
O11 Mo4 2.407(3) 2_777
O16 Mo1 2.302(3) 2_777
O17 Mo2 1.715(3) 1_545
O19 Mo2 2.350(3) 2_777
O20 Mo3 2.354(3) 2_777
N1 C1 1.332(5) .
N1 C5 1.342(5) .
N2 C12 1.323(4) .
N2 C8 1.344(5) .
C1 C2 1.382(6) .
C1 C6 1.505(6) .
C2 C3 1.388(6) .
C3 C4 1.376(6) .
C4 C5 1.382(5) .
C5 C7 1.491(5) .
C7 La1 3.073(4) 2_767
C8 C9 1.383(5) .
C8 C13 1.520(5) .
C9 C10 1.388(6) .
C10 C11 1.377(6) .
C11 C12 1.394(5) .
C12 C14 1.510(5) .
