# Electronic Supplementary Material (ESI) for CrystEngComm
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_global

data_a
#TrackingRef 'web_deposit_cif_file_0_LingyunLi_1362044699.LaMoBO6.cif'

_audit_creation_date             2012-10-11
_audit_creation_method           
;
Olex2 1.2
(compiled May 9 2012 12:37:22, GUI svn.r4230)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
?
;
_chemical_formula_moiety         '0.17(B6 La6 Mo6 O36)'
_chemical_formula_sum            'B La Mo O6'
_chemical_formula_weight         341.66
_chemical_absolute_configuration unk
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z'

_cell_length_a                   10.2863(3)
_cell_length_b                   4.15790(10)
_cell_length_c                   16.3390(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.830(3)
_cell_angle_gamma                90.00
_cell_volume                     690.53(3)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    2788
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.9733
_cell_measurement_theta_min      2.9657
_exptl_absorpt_coefficient_mu    11.818
_exptl_absorpt_correction_T_max  0.722
_exptl_absorpt_correction_T_min  0.335
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.930
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.1607
_exptl_crystal_size_mid          0.0796
_exptl_crystal_size_min          0.0328
_exptl_special_details           
;
?
;
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0564
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            4501
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.97
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.3503
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_number_gt                1913
_reflns_number_total             2371
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_refine_diff_density_max         1.224
_refine_diff_density_min         -1.669
_refine_diff_density_rms         0.302
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.23(3)
_refine_ls_extinction_coef       0.0147(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         2371
_refine_ls_number_restraints     163
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0300
_refine_ls_restrained_S_all      0.968
_refine_ls_shift/su_max          0.097
_refine_ls_shift/su_mean         0.021
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0306P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0707
_refine_ls_wR_factor_ref         0.0790
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.84530(10) 0.17578(13) 0.64762(7) 0.0063(3) Uani 1 1 d . . .
La2 La 0.17878(10) 1.15356(14) 0.98084(7) 0.0062(3) Uani 1 1 d . . .
La3 La 0.48767(10) 0.62109(13) 0.68574(6) 0.0049(3) Uani 1 1 d . . .
Mo1 Mo 0.52521(17) 1.2101(3) 0.88054(10) 0.0066(3) Uani 1 1 d . . .
Mo2 Mo 0.14032(15) 0.7297(3) 0.78638(10) 0.0059(3) Uani 1 1 d . . .
Mo3 Mo 0.80767(14) 0.5844(5) 0.45344(9) 0.0047(4) Uani 1 1 d . . .
B1 B 0.5345(15) 1.066(4) 0.5393(10) 0.004(3) Uani 1 1 d U . .
B2 B 0.7963(15) -0.269(4) 0.7933(11) 0.009(3) Uani 1 1 d U . .
B3 B -0.1299(15) 1.233(4) 0.8736(10) 0.009(3) Uani 1 1 d U . .
O1 O 0.5007(10) 0.738(2) 0.5324(6) 0.008(2) Uani 1 1 d U . .
O2 O 0.7282(10) 0.625(2) 0.7227(7) 0.010(3) Uani 1 1 d U . .
O3 O -0.0609(11) 1.129(2) 0.9435(7) 0.007(2) Uani 1 1 d U . .
O4 O 0.2803(11) 0.645(2) 0.7406(7) 0.012(3) Uani 1 1 d U . .
O5 O 0.3865(10) 1.119(2) 0.9255(6) 0.013(3) Uani 1 1 d U . .
O6 O 0.6757(11) 1.118(2) 0.9460(7) 0.011(2) Uani 1 1 d U . .
O7 O 0.6045(10) 0.161(2) 0.6096(7) 0.010(3) Uani 1 1 d U . .
O8 O 0.8202(12) 0.673(3) 0.5635(8) 0.018(3) Uani 1 1 d U . .
O9 O 0.9480(11) 0.653(2) 0.4076(7) 0.013(3) Uani 1 1 d U . .
O10 O 0.7992(13) 0.164(2) 0.4625(8) 0.017(4) Uani 1 1 d U . .
O11 O 0.5139(10) 1.120(3) 0.7714(6) 0.007(2) Uani 1 1 d U . .
O12 O -0.0102(11) 0.643(2) 0.7218(7) 0.014(3) Uani 1 1 d U . .
O13 O 0.6541(10) 0.668(2) 0.3890(7) 0.011(3) Uani 1 1 d U . .
O14 O 0.1336(14) 1.148(2) 0.7934(9) 0.019(3) Uani 1 1 d U . .
O15 O 0.8293(9) 0.058(2) 0.8008(5) 0.0062(18) Uani 1 1 d U . .
O16 O 0.5318(13) 1.625(2) 0.8707(8) 0.017(3) Uani 1 1 d U . .
O17 O 0.1635(8) 1.058(2) 1.1343(5) 0.0056(18) Uani 1 1 d U . .
O18 O 0.1560(11) 0.640(2) 0.8955(7) 0.010(3) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
La1 0.0045(5) 0.0058(6) 0.0093(6) -0.0002(3) 0.0030(4) 0.0003(3)
La2 0.0042(5) 0.0054(5) 0.0094(6) -0.0003(3) 0.0024(4) -0.0003(3)
La3 0.0030(5) 0.0036(5) 0.0088(5) -0.0008(3) 0.0026(4) -0.0003(3)
Mo1 0.0046(6) 0.0075(7) 0.0083(7) 0.0006(6) 0.0023(5) -0.0001(6)
Mo2 0.0018(6) 0.0084(7) 0.0078(7) 0.0001(6) 0.0019(5) 0.0005(6)
Mo3 0.0037(7) 0.0039(6) 0.0070(8) 0.0006(5) 0.0025(6) -0.0006(5)
B1 0.004(3) 0.004(3) 0.004(3) 0.0000(10) 0.0003(11) 0.0002(10)
B2 0.009(4) 0.010(4) 0.009(4) 0.0000(10) 0.0017(11) 0.0001(10)
B3 0.006(5) 0.011(5) 0.010(5) 0.002(4) -0.001(4) -0.001(4)
O1 0.008(2) 0.007(2) 0.008(2) 0.0002(7) 0.0009(8) -0.0002(7)
O2 0.009(4) 0.008(4) 0.011(4) -0.004(3) -0.003(3) -0.001(3)
O3 0.007(4) 0.007(4) 0.008(4) 0.002(3) 0.003(3) 0.002(3)
O4 0.011(3) 0.012(3) 0.013(3) -0.0003(9) 0.0024(10) -0.0010(9)
O5 0.012(3) 0.013(3) 0.013(3) 0.0002(10) 0.0021(10) -0.0005(10)
O6 0.008(4) 0.012(4) 0.011(4) 0.001(3) -0.003(3) 0.002(3)
O7 0.008(4) 0.013(4) 0.010(4) -0.001(3) 0.006(3) -0.001(3)
O8 0.018(5) 0.021(5) 0.015(5) 0.001(3) 0.004(4) 0.000(3)
O9 0.012(3) 0.013(3) 0.013(3) 0.0004(9) 0.0023(11) 0.0014(9)
O10 0.019(5) 0.011(5) 0.021(5) 0.003(3) 0.006(4) 0.003(3)
O11 0.008(3) 0.007(3) 0.008(3) -0.0003(10) 0.0008(10) -0.0004(10)
O12 0.011(4) 0.014(4) 0.015(5) 0.001(3) 0.001(4) -0.003(3)
O13 0.009(4) 0.012(4) 0.011(4) 0.003(3) 0.000(3) -0.003(3)
O14 0.017(5) 0.014(4) 0.026(5) -0.002(3) 0.004(4) -0.002(3)
O15 0.007(2) 0.006(2) 0.006(2) 0.0000(10) 0.0009(10) 0.0000(10)
O16 0.016(5) 0.015(4) 0.022(5) 0.003(3) 0.004(4) 0.002(3)
O17 0.006(3) 0.003(3) 0.007(3) 0.002(3) -0.001(3) 0.002(3)
O18 0.015(6) 0.007(5) 0.005(6) -0.003(3) -0.003(4) 0.002(3)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Mo3 3.5674(19) . ?
La1 B2 3.116(16) . ?
La1 O2 2.940(10) 1_545 ?
La1 O2 2.627(10) . ?
La1 O7 2.460(11) . ?
La1 O8 2.475(12) . ?
La1 O8 2.493(12) 1_545 ?
La1 O9 2.435(11) 2_746 ?
La1 O10 2.990(12) . ?
La1 O12 2.628(10) 1_655 ?
La1 O12 2.832(10) 1_645 ?
La1 O15 2.581(9) . ?
La2 Mo2 3.602(2) . ?
La2 B3 3.055(17) 2_547 ?
La2 O3 2.867(10) 2_547 ?
La2 O3 2.713(10) 2_557 ?
La2 O3 2.449(11) . ?
La2 O5 2.449(10) . ?
La2 O6 2.841(10) 2_647 ?
La2 O6 2.617(10) 2_657 ?
La2 O14 3.026(15) . ?
La2 O17 2.567(8) . ?
La2 O18 2.449(10) 1_565 ?
La2 O18 2.540(11) . ?
La3 Mo1 3.5809(19) 1_545 ?
La3 B1 3.119(16) . ?
La3 O1 2.577(10) . ?
La3 O2 2.455(10) . ?
La3 O4 2.440(12) . ?
La3 O7 2.913(10) 1_565 ?
La3 O7 2.667(10) . ?
La3 O11 2.500(11) 1_545 ?
La3 O11 2.496(10) . ?
La3 O13 2.572(10) 2_646 ?
La3 O13 2.872(10) 2_656 ?
La3 O16 2.986(13) 1_545 ?
Mo1 La3 3.5808(19) 1_565 ?
Mo1 O5 1.744(11) . ?
Mo1 O6 1.783(11) . ?
Mo1 O11 1.807(10) . ?
Mo1 O16 2.439(9) 1_545 ?
Mo1 O16 1.735(9) . ?
Mo2 O4 1.757(12) . ?
Mo2 O12 1.772(11) . ?
Mo2 O14 2.423(9) 1_545 ?
Mo2 O14 1.745(9) . ?
Mo2 O18 1.805(11) . ?
Mo3 O8 1.820(12) . ?
Mo3 O9 1.749(11) . ?
Mo3 O10 2.417(9) 1_565 ?
Mo3 O10 1.757(9) . ?
Mo3 O13 1.793(10) . ?
B1 O1 1.374(16) 2_656 ?
B1 O1 1.405(19) . ?
B1 O7 1.319(18) 1_565 ?
B2 O2 1.330(19) 1_545 ?
B2 O15 1.401(18) . ?
B2 O17 1.391(17) 2_637 ?
B3 La2 3.055(17) 2_557 ?
B3 O3 1.321(19) . ?
B3 O15 1.404(17) 1_465 ?
B3 O17 1.398(18) 2_557 ?
O1 B1 1.374(16) 2_646 ?
O2 La1 2.940(10) 1_565 ?
O2 B2 1.330(19) 1_565 ?
O3 La2 2.867(10) 2_557 ?
O3 La2 2.713(10) 2_547 ?
O6 La2 2.841(10) 2_657 ?
O6 La2 2.617(10) 2_647 ?
O7 La3 2.913(10) 1_545 ?
O7 B1 1.319(18) 1_545 ?
O8 La1 2.493(12) 1_565 ?
O9 La1 2.435(11) 2_756 ?
O10 Mo3 2.417(9) 1_545 ?
O11 La3 2.500(11) 1_565 ?
O12 La1 2.832(10) 1_465 ?
O12 La1 2.628(10) 1_455 ?
O13 La3 2.872(10) 2_646 ?
O13 La3 2.572(10) 2_656 ?
O14 Mo2 2.423(9) 1_565 ?
O15 B3 1.404(17) 1_645 ?
O16 La3 2.986(13) 1_565 ?
O16 Mo1 2.439(9) 1_565 ?
O17 B2 1.391(18) 2_667 ?
O17 B3 1.398(18) 2_547 ?
O18 La2 2.449(10) 1_545 ?

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
B2 La1 Mo3 162.5(3) . . ?
O2 La1 Mo3 94.7(2) . . ?
O2 La1 Mo3 138.3(2) 1_545 . ?
O2 La1 B2 25.1(3) 1_545 . ?
O2 La1 B2 85.8(4) . . ?
O2 La1 O2 96.5(3) . 1_545 ?
O2 La1 O10 118.1(3) . . ?
O2 La1 O10 113.4(3) 1_545 . ?
O2 La1 O12 127.2(3) . 1_645 ?
O7 La1 Mo3 79.6(3) . . ?
O7 La1 B2 84.4(4) . . ?
O7 La1 O2 67.6(3) . . ?
O7 La1 O2 68.0(3) . 1_545 ?
O7 La1 O8 79.9(4) . 1_545 ?
O7 La1 O8 82.3(4) . . ?
O7 La1 O10 75.4(4) . . ?
O7 La1 O12 127.7(3) . 1_655 ?
O7 La1 O12 122.0(3) . 1_645 ?
O7 La1 O15 91.6(3) . . ?
O8 La1 Mo3 85.5(3) 1_545 . ?
O8 La1 Mo3 28.4(3) . . ?
O8 La1 B2 84.8(4) 1_545 . ?
O8 La1 B2 154.8(4) . . ?
O8 La1 O2 150.2(3) . 1_545 ?
O8 La1 O2 64.1(4) 1_545 1_545 ?
O8 La1 O2 69.4(4) . . ?
O8 La1 O2 146.9(3) 1_545 . ?
O8 La1 O8 113.6(5) . 1_545 ?
O8 La1 O10 56.0(3) 1_545 . ?
O8 La1 O10 57.6(3) . . ?
O8 La1 O12 153.4(4) . 1_645 ?
O8 La1 O12 65.4(4) 1_545 1_645 ?
O8 La1 O12 69.0(4) . 1_655 ?
O8 La1 O12 151.4(4) 1_545 1_655 ?
O8 La1 O15 111.0(3) 1_545 . ?
O8 La1 O15 132.9(3) . . ?
O9 La1 Mo3 70.8(3) 2_746 . ?
O9 La1 B2 120.8(4) 2_746 . ?
O9 La1 O2 124.1(3) 2_746 1_545 ?
O9 La1 O2 133.6(3) 2_746 . ?
O9 La1 O7 143.9(4) 2_746 . ?
O9 La1 O8 77.6(4) 2_746 1_545 ?
O9 La1 O8 81.4(4) 2_746 . ?
O9 La1 O10 68.7(4) 2_746 . ?
O9 La1 O12 74.7(4) 2_746 1_655 ?
O9 La1 O12 72.4(3) 2_746 1_645 ?
O9 La1 O15 122.8(3) 2_746 . ?
O10 La1 Mo3 29.44(17) . . ?
O10 La1 B2 138.1(4) . . ?
O12 La1 Mo3 136.9(2) 1_645 . ?
O12 La1 Mo3 91.9(2) 1_655 . ?
O12 La1 B2 103.5(4) 1_655 . ?
O12 La1 B2 49.1(4) 1_645 . ?
O12 La1 O2 128.5(3) 1_655 1_545 ?
O12 La1 O2 55.6(3) 1_645 1_545 ?
O12 La1 O2 61.7(3) 1_655 . ?
O12 La1 O10 118.0(3) 1_655 . ?
O12 La1 O10 114.3(3) 1_645 . ?
O12 La1 O12 99.1(4) 1_655 1_645 ?
O15 La1 Mo3 159.9(2) . . ?
O15 La1 B2 26.4(4) . . ?
O15 La1 O2 65.2(3) . . ?
O15 La1 O2 49.9(3) . 1_545 ?
O15 La1 O10 162.6(3) . . ?
O15 La1 O12 79.0(3) . 1_655 ?
O15 La1 O12 62.9(3) . 1_645 ?
B3 La2 Mo2 113.4(3) 2_547 . ?
O3 La2 Mo2 77.9(3) . . ?
O3 La2 Mo2 139.6(2) 2_557 . ?
O3 La2 Mo2 90.7(2) 2_547 . ?
O3 La2 B3 85.6(4) 2_557 2_547 ?
O3 La2 B3 83.7(4) . 2_547 ?
O3 La2 B3 25.5(4) 2_547 2_547 ?
O3 La2 O3 96.3(3) 2_557 2_547 ?
O3 La2 O3 69.0(3) . 2_557 ?
O3 La2 O3 66.4(3) . 2_547 ?
O3 La2 O6 128.9(3) . 2_657 ?
O3 La2 O6 128.5(3) 2_557 2_647 ?
O3 La2 O6 121.1(3) . 2_647 ?
O3 La2 O14 75.8(4) . . ?
O3 La2 O14 114.9(3) 2_547 . ?
O3 La2 O14 117.2(3) 2_557 . ?
O3 La2 O17 91.5(3) . . ?
O3 La2 O18 79.8(3) . . ?
O5 La2 Mo2 68.2(2) . . ?
O5 La2 B3 120.7(4) . 2_547 ?
O5 La2 O3 124.4(3) . 2_547 ?
O5 La2 O3 143.8(3) . . ?
O5 La2 O3 133.4(3) . 2_557 ?
O5 La2 O6 71.1(3) . 2_647 ?
O5 La2 O6 75.1(3) . 2_657 ?
O5 La2 O14 68.5(3) . . ?
O5 La2 O17 122.6(3) . . ?
O5 La2 O18 76.1(4) . . ?
O6 La2 Mo2 88.1(2) 2_647 . ?
O6 La2 Mo2 137.9(3) 2_657 . ?
O6 La2 B3 102.6(4) 2_657 2_547 ?
O6 La2 B3 50.5(4) 2_647 2_547 ?
O6 La2 O3 56.8(3) 2_647 2_547 ?
O6 La2 O3 61.2(3) 2_657 2_557 ?
O6 La2 O3 128.0(3) 2_657 2_547 ?
O6 La2 O6 99.2(4) 2_657 2_647 ?
O6 La2 O14 114.1(3) 2_647 . ?
O6 La2 O14 117.1(3) 2_657 . ?
O14 La2 Mo2 28.89(17) . . ?
O14 La2 B3 139.9(4) . 2_547 ?
O17 La2 Mo2 140.5(2) . . ?
O17 La2 B3 27.1(4) . 2_547 ?
O17 La2 O3 50.8(3) . 2_547 ?
O17 La2 O3 64.4(3) . 2_557 ?
O17 La2 O6 77.5(3) . 2_657 ?
O17 La2 O6 64.9(3) . 2_647 ?
O17 La2 O14 164.7(3) . . ?
O18 La2 Mo2 27.9(2) . . ?
O18 La2 Mo2 85.1(3) 1_565 . ?
O18 La2 B3 154.6(4) 1_565 2_547 ?
O18 La2 B3 86.2(4) . 2_547 ?
O18 La2 O3 149.9(3) 1_565 2_547 ?
O18 La2 O3 83.6(4) 1_565 . ?
O18 La2 O3 69.3(3) 1_565 2_557 ?
O18 La2 O3 148.4(3) . 2_557 ?
O18 La2 O3 65.7(3) . 2_547 ?
O18 La2 O5 81.4(4) 1_565 . ?
O18 La2 O6 150.3(3) . 2_657 ?
O18 La2 O6 64.6(3) . 2_647 ?
O18 La2 O6 152.3(3) 1_565 2_647 ?
O18 La2 O6 69.4(3) 1_565 2_657 ?
O18 La2 O14 56.2(3) 1_565 . ?
O18 La2 O14 56.7(3) . . ?
O18 La2 O17 132.0(3) 1_565 . ?
O18 La2 O17 113.1(3) . . ?
O18 La2 O18 112.9(4) 1_565 . ?
B1 La3 Mo1 163.0(3) . 1_545 ?
O1 La3 Mo1 160.1(2) . 1_545 ?
O1 La3 B1 26.4(4) . . ?
O1 La3 O7 65.7(3) . . ?
O1 La3 O7 49.7(3) . 1_565 ?
O1 La3 O13 62.3(3) . 2_656 ?
O1 La3 O16 163.9(3) . 1_545 ?
O2 La3 Mo1 79.5(3) . 1_545 ?
O2 La3 B1 85.2(4) . . ?
O2 La3 O1 92.1(3) . . ?
O2 La3 O7 67.1(3) . . ?
O2 La3 O7 68.5(3) . 1_565 ?
O2 La3 O11 81.4(3) . 1_545 ?
O2 La3 O11 80.7(3) . . ?
O2 La3 O13 121.7(3) . 2_656 ?
O2 La3 O13 126.8(3) . 2_646 ?
O2 La3 O16 76.1(4) . 1_545 ?
O4 La3 Mo1 70.9(3) . 1_545 ?
O4 La3 B1 120.3(4) . . ?
O4 La3 O1 121.9(3) . . ?
O4 La3 O2 144.5(4) . . ?
O4 La3 O7 133.0(3) . . ?
O4 La3 O7 124.6(3) . 1_565 ?
O4 La3 O11 77.6(3) . . ?
O4 La3 O11 81.5(3) . 1_545 ?
O4 La3 O13 74.9(3) . 2_646 ?
O4 La3 O13 73.1(3) . 2_656 ?
O4 La3 O16 68.5(4) . 1_545 ?
O7 La3 Mo1 138.7(2) 1_565 1_545 ?
O7 La3 Mo1 94.4(2) . 1_545 ?
O7 La3 B1 25.0(3) 1_565 . ?
O7 La3 B1 86.2(4) . . ?
O7 La3 O7 96.2(3) . 1_565 ?
O7 La3 O13 127.3(3) . 2_656 ?
O7 La3 O16 117.8(3) . 1_545 ?
O7 La3 O16 114.8(3) 1_565 1_545 ?
O11 La3 Mo1 28.0(2) 1_545 1_545 ?
O11 La3 Mo1 84.9(2) . 1_545 ?
O11 La3 B1 155.1(4) 1_545 . ?
O11 La3 B1 85.5(4) . . ?
O11 La3 O1 133.2(3) 1_545 . ?
O11 La3 O1 111.8(3) . . ?
O11 La3 O7 65.3(3) . 1_565 ?
O11 La3 O7 149.8(3) 1_545 1_565 ?
O11 La3 O7 69.3(3) 1_545 . ?
O11 La3 O7 147.2(3) . . ?
O11 La3 O11 112.7(4) . 1_545 ?
O11 La3 O13 65.4(3) . 2_656 ?
O11 La3 O13 70.2(3) 1_545 2_646 ?
O11 La3 O13 151.6(3) . 2_646 ?
O11 La3 O13 154.4(3) 1_545 2_656 ?
O11 La3 O16 56.0(3) . 1_545 ?
O11 La3 O16 56.7(3) 1_545 1_545 ?
O13 La3 Mo1 137.3(2) 2_656 1_545 ?
O13 La3 Mo1 92.8(2) 2_646 1_545 ?
O13 La3 B1 102.3(4) 2_646 . ?
O13 La3 B1 48.1(4) 2_656 . ?
O13 La3 O1 77.7(3) 2_646 . ?
O13 La3 O7 127.0(3) 2_646 1_565 ?
O13 La3 O7 61.1(3) 2_646 . ?
O13 La3 O7 54.8(3) 2_656 1_565 ?
O13 La3 O13 99.4(3) 2_646 2_656 ?
O13 La3 O16 118.1(3) 2_646 1_545 ?
O13 La3 O16 114.5(3) 2_656 1_545 ?
O16 La3 Mo1 28.87(18) 1_545 1_545 ?
O16 La3 B1 139.1(4) 1_545 . ?
O5 Mo1 La3 119.7(3) . 1_565 ?
O5 Mo1 O6 113.1(5) . . ?
O5 Mo1 O11 115.9(5) . . ?
O5 Mo1 O16 81.0(4) . 1_545 ?
O6 Mo1 La3 126.9(4) . 1_565 ?
O6 Mo1 O11 117.8(5) . . ?
O6 Mo1 O16 78.2(5) . 1_545 ?
O11 Mo1 La3 40.5(3) . 1_565 ?
O11 Mo1 O16 74.2(5) . 1_545 ?
O16 Mo1 La3 114.7(3) 1_545 1_565 ?
O16 Mo1 La3 56.2(5) . 1_565 ?
O16 Mo1 O5 107.6(6) . . ?
O16 Mo1 O6 103.0(6) . . ?
O16 Mo1 O11 96.4(6) . . ?
O16 Mo1 O16 169.6(8) . 1_545 ?
O4 Mo2 La2 119.2(4) . . ?
O4 Mo2 O12 113.8(5) . . ?
O4 Mo2 O14 81.4(5) . 1_545 ?
O4 Mo2 O18 115.1(5) . . ?
O12 Mo2 La2 126.3(4) . . ?
O12 Mo2 O14 78.3(5) . 1_545 ?
O12 Mo2 O18 119.0(5) . . ?
O14 Mo2 La2 56.9(5) . . ?
O14 Mo2 La2 116.5(4) 1_545 . ?
O14 Mo2 O4 105.8(6) . . ?
O14 Mo2 O12 101.6(6) . . ?
O14 Mo2 O14 171.9(9) . 1_545 ?
O14 Mo2 O18 97.9(6) . . ?
O18 Mo2 La2 41.2(3) . . ?
O18 Mo2 O14 75.3(5) . 1_545 ?
O8 Mo3 La1 40.2(4) . . ?
O8 Mo3 O10 74.7(5) . 1_565 ?
O9 Mo3 La1 118.3(4) . . ?
O9 Mo3 O8 116.9(6) . . ?
O9 Mo3 O10 84.5(4) . 1_565 ?
O9 Mo3 O10 104.6(5) . . ?
O9 Mo3 O13 115.3(6) . . ?
O10 Mo3 La1 56.7(4) . . ?
O10 Mo3 La1 114.9(3) 1_565 . ?
O10 Mo3 O8 96.6(5) . . ?
O10 Mo3 O10 169.7(7) . 1_565 ?
O10 Mo3 O13 101.1(5) . . ?
O13 Mo3 La1 125.5(4) . . ?
O13 Mo3 O8 117.6(5) . . ?
O13 Mo3 O10 78.8(4) . 1_565 ?
O1 B1 La3 155.8(9) 2_656 . ?
O1 B1 La3 54.7(8) . . ?
O1 B1 O1 114.0(12) 2_656 . ?
O7 B1 La3 68.8(8) 1_565 . ?
O7 B1 O1 128.5(14) 1_565 2_656 ?
O7 B1 O1 117.2(13) 1_565 . ?
O2 B2 La1 70.0(8) 1_545 . ?
O2 B2 O15 119.0(13) 1_545 . ?
O2 B2 O17 128.1(13) 1_545 2_637 ?
O15 B2 La1 55.0(7) . . ?
O17 B2 La1 153.4(9) 2_637 . ?
O17 B2 O15 112.9(13) 2_637 . ?
O3 B3 La2 69.3(8) . 2_557 ?
O3 B3 O15 127.8(14) . 1_465 ?
O3 B3 O17 119.4(14) . 2_557 ?
O15 B3 La2 153.3(9) 1_465 2_557 ?
O17 B3 La2 56.6(7) 2_557 2_557 ?
O17 B3 O15 112.7(12) 2_557 1_465 ?
B1 O1 La3 98.8(9) . . ?
B1 O1 La3 133.1(9) 2_646 . ?
B1 O1 B1 127.2(11) 2_646 . ?
La1 O2 La1 96.5(3) . 1_565 ?
La3 O2 La1 111.4(4) . 1_565 ?
La3 O2 La1 113.4(4) . . ?
B2 O2 La1 84.8(8) 1_565 1_565 ?
B2 O2 La1 115.0(9) 1_565 . ?
B2 O2 La3 126.3(10) 1_565 . ?
La2 O3 La2 114.9(4) . 2_547 ?
La2 O3 La2 109.7(4) . 2_557 ?
La2 O3 La2 96.3(3) 2_547 2_557 ?
B3 O3 La2 85.2(9) . 2_557 ?
B3 O3 La2 114.5(9) . 2_547 ?
B3 O3 La2 126.0(10) . . ?
Mo2 O4 La3 169.8(5) . . ?
Mo1 O5 La2 163.6(5) . . ?
La2 O6 La2 99.2(4) 2_647 2_657 ?
Mo1 O6 La2 115.9(4) . 2_657 ?
Mo1 O6 La2 144.6(5) . 2_647 ?
La1 O7 La3 112.2(4) . 1_545 ?
La1 O7 La3 111.9(4) . . ?
La3 O7 La3 96.2(3) . 1_545 ?
B1 O7 La1 128.4(9) 1_545 . ?
B1 O7 La3 113.4(9) 1_545 . ?
B1 O7 La3 86.3(8) 1_545 1_545 ?
La1 O8 La1 113.6(5) . 1_565 ?
Mo3 O8 La1 134.4(6) . 1_565 ?
Mo3 O8 La1 111.4(5) . . ?
Mo3 O9 La1 171.9(5) . 2_756 ?
Mo3 O10 La1 94.4(3) 1_545 . ?
Mo3 O10 La1 93.8(5) . . ?
Mo3 O10 Mo3 169.7(7) . 1_545 ?
La3 O11 La3 112.7(4) . 1_565 ?
Mo1 O11 La3 111.4(5) . 1_565 ?
Mo1 O11 La3 135.2(5) . . ?
La1 O12 La1 99.1(4) 1_455 1_465 ?
Mo2 O12 La1 116.7(4) . 1_465 ?
Mo2 O12 La1 143.6(5) . 1_455 ?
La3 O13 La3 99.4(3) 2_656 2_646 ?
Mo3 O13 La3 116.1(4) . 2_646 ?
Mo3 O13 La3 143.7(5) . 2_656 ?
Mo2 O14 La2 92.3(4) 1_565 . ?
Mo2 O14 La2 94.2(6) . . ?
Mo2 O14 Mo2 171.9(9) . 1_565 ?
B2 O15 La1 98.7(9) . . ?
B3 O15 La1 131.9(8) 1_645 . ?
B3 O15 B2 127.9(11) 1_645 . ?
Mo1 O16 La3 94.1(4) 1_565 1_565 ?
Mo1 O16 La3 94.9(5) . 1_565 ?
Mo1 O16 Mo1 169.6(8) . 1_565 ?
B2 O17 La2 134.2(8) 2_667 . ?
B2 O17 B3 128.0(11) 2_667 2_547 ?
B3 O17 La2 96.3(9) 2_547 . ?
La2 O18 La2 112.9(4) 1_545 . ?
Mo2 O18 La2 110.9(4) . . ?
Mo2 O18 La2 136.0(5) . 1_545 ?



_database_code_depnum_ccdc_archive 'CCDC 926991'