# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2014

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#
#                 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.
#
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#  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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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_shelxl

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C9 H20.40 La O13.20'
_chemical_formula_weight         478.76

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'
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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   11.082(2)
_cell_length_b                   9.1820(10)
_cell_length_c                   16.959(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.360(10)
_cell_angle_gamma                90.00
_cell_volume                     1724.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    60
_cell_measurement_theta_min      9.3
_cell_measurement_theta_max      12.4

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             948
_exptl_absorpt_coefficient_mu    2.539
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  P4
_diffrn_measurement_method       scintillation
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         2
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        none
_diffrn_reflns_number            3610
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_av_sigmaI/netI    0.0513
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.84
_diffrn_reflns_theta_max         24.99
_reflns_number_total             3015
_reflns_number_gt                2486
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       XSCANS
_computing_cell_refinement       XSCANS
_computing_data_reduction        XSCANS
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0616P)²+4.0348P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3015
_refine_ls_number_parameters     251
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0407
_refine_ls_wR_factor_ref         0.1077
_refine_ls_wR_factor_gt          0.0996
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.49388(3) 0.90965(4) 0.120206(18) 0.01791(14) Uani 1 1 d . . .
O1 O 0.7157(4) 0.8373(6) 0.1484(3) 0.0354(11) Uani 1 1 d . . .
O2 O 0.6254(4) 0.8736(5) 0.2597(3) 0.0251(10) Uani 1 1 d . . .
O3 O 0.3433(4) 1.1209(5) 0.1183(3) 0.0285(10) Uani 1 1 d . . .
O4 O 0.2221(4) 1.1708(6) 0.2158(3) 0.0326(11) Uani 1 1 d . . .
O5 O -0.2889(4) 1.1895(5) -0.0587(2) 0.0288(10) Uani 1 1 d . . .
O6 O -0.3877(4) 1.0551(5) 0.0236(2) 0.0255(10) Uani 1 1 d . . .
O1W O 0.5755(4) 0.7296(6) 0.0144(3) 0.0354(11) Uani 1 1 d D . .
O2W O 0.5800(4) 1.1523(5) 0.1893(3) 0.0275(10) Uani 1 1 d D . .
O3W O 0.4806(5) 0.6363(6) 0.1647(3) 0.0387(12) Uani 1 1 d D . .
O4W O 0.5886(7) 1.4033(6) 0.0933(4) 0.0535(16) Uani 1 1 d D . .
C1 C 0.7209(5) 0.8473(7) 0.2219(3) 0.0224(13) Uani 1 1 d . . .
C2 C 0.8377(5) 0.8339(8) 0.2664(4) 0.0274(14) Uani 1 1 d . . .
H2 H 0.8389 0.8314 0.3212 0.033 Uiso 1 1 calc R . .
C3 C 0.9415(5) 0.8254(7) 0.2298(4) 0.0272(14) Uani 1 1 d . . .
H3 H 0.9383 0.8191 0.1750 0.033 Uiso 1 1 calc R . .
C4 C 0.2416(5) 1.1539(7) 0.1450(4) 0.0272(14) Uani 1 1 d . . .
C5 C 0.1394(6) 1.1682(8) 0.0856(4) 0.0309(15) Uani 1 1 d . . .
H5 H 0.1571 1.1858 0.0333 0.037 Uiso 1 1 calc R . .
C6 C 0.0245(6) 1.1572(8) 0.1035(4) 0.0301(15) Uani 1 1 d . . .
H6 H 0.0077 1.1457 0.1564 0.036 Uiso 1 1 calc R . .
C7 C -0.0772(6) 1.1616(8) 0.0466(4) 0.0313(15) Uani 1 1 d . . .
H7 H -0.0629 1.1884 -0.0051 0.038 Uiso 1 1 calc R . .
C8 C -0.1901(6) 1.1292(7) 0.0647(4) 0.0272(15) Uani 1 1 d . . .
H8 H -0.2050 1.1071 0.1170 0.033 Uiso 1 1 calc R . .
C9 C -0.2930(5) 1.1264(7) 0.0062(4) 0.0241(14) Uani 1 1 d . . .
O5W O 0.8748(8) 0.4400(9) 0.2429(6) 0.084(2) Uani 1 1 d D . .
O6W O 0.8061(8) 0.5512(9) 0.0869(7) 0.110(3) Uani 1 1 d . . .
O7WA O 0.216(4) 0.534(5) 0.098(3) 0.071(10) Uiso 0.20 1 d P . .
O7WB O 0.137(4) 0.558(4) 0.082(2) 0.074(10) Uiso 0.20 1 d P . .
O7WC O 0.2529(14) 0.5286(18) 0.1309(10) 0.067(4) Uiso 0.50 1 d P . .
O8W O 1.024(3) 0.511(4) 0.0243(17) 0.095(9) Uiso 0.30 1 d P . .
H1A H 0.607(8) 0.767(10) -0.024(4) 0.080 Uiso 1 1 d D . .
H1B H 0.609(9) 0.648(5) 0.017(6) 0.080 Uiso 1 1 d D . .
H2A H 0.640(6) 1.144(12) 0.221(5) 0.080 Uiso 1 1 d D . .
H3B H 0.410(3) 0.608(11) 0.165(7) 0.080 Uiso 1 1 d D . .
H4A H 0.576(19) 1.472(10) 0.124(7) 0.080 Uiso 0.50 1 d PD . .
H4B H 0.588(10) 1.340(9) 0.128(5) 0.080 Uiso 1 1 d D . .
H5A H 0.845(9) 0.363(7) 0.260(6) 0.080 Uiso 1 1 d D . .
H5B H 0.940(10) 0.44(3) 0.269(11) 0.080 Uiso 0.50 1 d PD . .
H3A H 0.519(11) 0.559(9) 0.158(14) 0.080 Uiso 0.50 1 d PD . .
H2B H 0.532(10) 1.17(2) 0.224(6) 0.080 Uiso 0.50 1 d PD . .
H3C H 0.49(2) 0.62(2) 0.212(3) 0.080 Uiso 0.50 1 d PD . .
H5C H 0.85(2) 0.46(3) 0.196(5) 0.080 Uiso 0.50 1 d PD . .


_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 O2 2.495(4) 2_655 ?
La1 O6 2.523(4) 1_655 ?
La1 O3 2.558(4) . ?
La1 O1 2.573(4) . ?
La1 O5 2.624(4) 3_575 ?
La1 O3W 2.626(6) . ?
La1 O1W 2.628(5) . ?
La1 O2W 2.676(5) . ?
La1 O6 2.684(4) 3_575 ?
La1 O2 2.748(4) . ?
La1 C1 3.045(6) . ?
La1 C9 3.045(6) 3_575 ?
O1 C1 1.249(7) . ?
O2 C1 1.282(7) . ?
O2 La1 2.495(4) 2_655 ?
O3 C4 1.268(8) . ?
O4 C4 1.237(8) . ?
O5 C9 1.246(8) . ?
O5 La1 2.624(4) 3_575 ?
O6 C9 1.282(8) . ?
O6 La1 2.523(4) 1_455 ?
O6 La1 2.684(4) 3_575 ?
O1W H1A 0.83(2) . ?
O1W H1B 0.84(2) . ?
O2W H2A 0.84(2) . ?
O2W H2B 0.83(2) . ?
O3W H3B 0.83(2) . ?
O3W H3A 0.83(2) . ?
O3W H3C 0.83(2) . ?
O4W H4A 0.84(2) . ?
O4W H4B 0.83(2) . ?
C1 C2 1.477(8) . ?
C2 C3 1.331(9) . ?
C2 H2 0.9300 . ?
C3 C3 1.441(12) 2_755 ?
C3 H3 0.9300 . ?
C4 C5 1.490(8) . ?
C5 C6 1.324(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.454(9) . ?
C6 H6 0.9300 . ?
C7 C8 1.334(9) . ?
C7 H7 0.9300 . ?
C8 C9 1.481(8) . ?
C8 H8 0.9300 . ?
C9 La1 3.044(6) 3_575 ?
O5W H5A 0.84(2) . ?
O5W H5C 0.83(2) . ?
O7WA O7WC 0.68(4) . ?
O7WA O7WB 0.93(5) . ?
O7WB O7WC 1.52(4) . ?
O7WB O8W 1.62(5) 1_455 ?
O8W O8W 0.98(5) 3_765 ?
O8W O7WB 1.62(5) 1_655 ?

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
O2 La1 O6 155.12(15) 2_655 1_655 ?
O2 La1 O3 75.12(15) 2_655 . ?
O6 La1 O3 86.97(14) 1_655 . ?
O2 La1 O1 110.39(14) 2_655 . ?
O6 La1 O1 74.86(15) 1_655 . ?
O3 La1 O1 144.70(16) . . ?
O2 La1 O5 78.42(13) 2_655 3_575 ?
O6 La1 O5 113.00(13) 1_655 3_575 ?
O3 La1 O5 72.81(15) . 3_575 ?
O1 La1 O5 142.15(17) . 3_575 ?
O2 La1 O3W 66.49(16) 2_655 . ?
O6 La1 O3W 136.81(16) 1_655 . ?
O3 La1 O3W 133.15(16) . . ?
O1 La1 O3W 76.36(18) . . ?
O5 La1 O3W 74.03(16) 3_575 . ?
O2 La1 O1W 133.06(16) 2_655 . ?
O6 La1 O1W 71.76(16) 1_655 . ?
O3 La1 O1W 135.34(15) . . ?
O1 La1 O1W 67.14(16) . . ?
O5 La1 O1W 80.02(15) 3_575 . ?
O3W La1 O1W 67.66(17) . . ?
O2 La1 O2W 86.81(14) 2_655 . ?
O6 La1 O2W 69.99(14) 1_655 . ?
O3 La1 O2W 66.10(14) . . ?
O1 La1 O2W 79.19(15) . . ?
O5 La1 O2W 138.66(14) 3_575 . ?
O3W La1 O2W 133.87(16) . . ?
O1W La1 O2W 134.15(15) . . ?
O2 La1 O6 122.03(13) 2_655 3_575 ?
O6 La1 O6 64.32(15) 1_655 3_575 ?
O3 La1 O6 68.66(14) . 3_575 ?
O1 La1 O6 125.46(14) . 3_575 ?
O5 La1 O6 48.72(13) 3_575 3_575 ?
O3W La1 O6 110.40(15) . 3_575 ?
O1W La1 O6 66.76(14) . 3_575 ?
O2W La1 O6 115.67(14) . 3_575 ?
O2 La1 O2 63.99(15) 2_655 . ?
O6 La1 O2 110.55(13) 1_655 . ?
O3 La1 O2 115.13(14) . . ?
O1 La1 O2 48.66(13) . . ?
O5 La1 O2 136.11(13) 3_575 . ?
O3W La1 O2 70.82(15) . . ?
O1W La1 O2 109.09(14) . . ?
O2W La1 O2 63.63(14) . . ?
O6 La1 O2 173.95(12) 3_575 . ?
O2 La1 C1 88.04(15) 2_655 . ?
O6 La1 C1 91.59(15) 1_655 . ?
O3 La1 C1 132.29(16) . . ?
O1 La1 C1 23.83(15) . . ?
O5 La1 C1 147.29(16) 3_575 . ?
O3W La1 C1 73.27(18) . . ?
O1W La1 C1 88.23(16) . . ?
O2W La1 C1 68.71(16) . . ?
O6 La1 C1 149.15(14) 3_575 . ?
O2 La1 C1 24.89(14) . . ?
O2 La1 C9 99.40(15) 2_655 3_575 ?
O6 La1 C9 89.17(15) 1_655 3_575 ?
O3 La1 C9 67.41(16) . 3_575 ?
O1 La1 C9 140.23(16) . 3_575 ?
O5 La1 C9 23.95(15) 3_575 3_575 ?
O3W La1 C9 92.89(17) . 3_575 ?
O1W La1 C9 73.32(16) . 3_575 ?
O2W La1 C9 129.54(16) . 3_575 ?
O6 La1 C9 24.85(15) 3_575 3_575 ?
O2 La1 C9 160.04(16) . 3_575 ?
C1 La1 C9 160.30(17) . 3_575 ?
C1 O1 La1 99.8(4) . . ?
C1 O2 La1 155.4(4) . 2_655 ?
C1 O2 La1 90.7(3) . . ?
La1 O2 La1 113.99(15) 2_655 . ?
C4 O3 La1 140.0(4) . . ?
C9 O5 La1 97.3(4) . 3_575 ?
C9 O6 La1 150.8(4) . 1_455 ?
C9 O6 La1 93.5(4) . 3_575 ?
La1 O6 La1 115.68(15) 1_455 3_575 ?
La1 O1W H1A 116(7) . . ?
La1 O1W H1B 133(7) . . ?
H1A O1W H1B 103(7) . . ?
La1 O2W H2A 117(8) . . ?
La1 O2W H2B 106(10) . . ?
H2A O2W H2B 95(8) . . ?
La1 O3W H3B 111(7) . . ?
La1 O3W H3A 138(10) . . ?
H3B O3W H3A 102(8) . . ?
La1 O3W H3C 116(10) . . ?
H3B O3W H3C 93(10) . . ?
H3A O3W H3C 86(10) . . ?
H4A O4W H4B 94(8) . . ?
O1 C1 O2 120.6(5) . . ?
O1 C1 C2 120.4(5) . . ?
O2 C1 C2 119.0(5) . . ?
O1 C1 La1 56.3(3) . . ?
O2 C1 La1 64.5(3) . . ?
C2 C1 La1 172.5(5) . . ?
C3 C2 C1 121.6(6) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C2 C3 C3 123.8(8) . 2_755 ?
C2 C3 H3 118.1 . . ?
C3 C3 H3 118.1 2_755 . ?
O4 C4 O3 124.7(6) . . ?
O4 C4 C5 119.1(6) . . ?
O3 C4 C5 116.2(6) . . ?
C6 C5 C4 123.3(6) . . ?
C6 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
C5 C6 C7 124.9(7) . . ?
C5 C6 H6 117.6 . . ?
C7 C6 H6 117.6 . . ?
C8 C7 C6 123.3(7) . . ?
C8 C7 H7 118.3 . . ?
C6 C7 H7 118.3 . . ?
C7 C8 C9 123.5(6) . . ?
C7 C8 H8 118.2 . . ?
C9 C8 H8 118.2 . . ?
O5 C9 O6 120.1(5) . . ?
O5 C9 C8 121.9(6) . . ?
O6 C9 C8 118.0(6) . . ?
O5 C9 La1 58.7(3) . 3_575 ?
O6 C9 La1 61.6(3) . 3_575 ?
C8 C9 La1 174.0(5) . 3_575 ?
H5A O5W H5C 114(10) . . ?
O7WC O7WA O7WB 141(7) . . ?
O7WA O7WB O7WC 16(3) . . ?
O7WA O7WB O8W 144(5) . 1_455 ?
O7WC O7WB O8W 154(3) . 1_455 ?
O7WA O7WC O7WB 22(4) . . ?
O8W O8W O7WB 159(5) 3_765 1_655 ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 La1 O1 C1 -21.3(5) 2_655 . . . ?
O6 La1 O1 C1 133.1(5) 1_655 . . . ?
O3 La1 O1 C1 71.6(5) . . . . ?
O5 La1 O1 C1 -118.7(4) 3_575 . . . ?
O3W La1 O1 C1 -79.4(4) . . . . ?
O1W La1 O1 C1 -150.6(5) . . . . ?
O2W La1 O1 C1 61.1(4) . . . . ?
O6 La1 O1 C1 175.1(4) 3_575 . . . ?
O2 La1 O1 C1 -3.1(4) . . . . ?
C9 La1 O1 C1 -157.3(4) 3_575 . . . ?
O2 La1 O2 C1 164.0(3) 2_655 . . . ?
O6 La1 O2 C1 -42.5(4) 1_655 . . . ?
O3 La1 O2 C1 -139.0(4) . . . . ?
O1 La1 O2 C1 3.0(4) . . . . ?
O5 La1 O2 C1 130.0(4) 3_575 . . . ?
O3W La1 O2 C1 91.5(4) . . . . ?
O1W La1 O2 C1 34.6(4) . . . . ?
O2W La1 O2 C1 -96.1(4) . . . . ?
O6 La1 O2 C1 -11.2(14) 3_575 . . . ?
C9 La1 O2 C1 128.2(5) 3_575 . . . ?
O2 La1 O2 La1 -16.7(2) 2_655 . . 2_655 ?
O6 La1 O2 La1 136.84(17) 1_655 . . 2_655 ?
O3 La1 O2 La1 40.3(2) . . . 2_655 ?
O1 La1 O2 La1 -177.7(3) . . . 2_655 ?
O5 La1 O2 La1 -50.6(3) 3_575 . . 2_655 ?
O3W La1 O2 La1 -89.2(2) . . . 2_655 ?
O1W La1 O2 La1 -146.10(18) . . . 2_655 ?
O2W La1 O2 La1 83.27(19) . . . 2_655 ?
O6 La1 O2 La1 168.1(12) 3_575 . . 2_655 ?
C1 La1 O2 La1 179.3(5) . . . 2_655 ?
C9 La1 O2 La1 -52.5(5) 3_575 . . 2_655 ?
O2 La1 O3 C4 -23.2(6) 2_655 . . . ?
O6 La1 O3 C4 174.2(6) 1_655 . . . ?
O1 La1 O3 C4 -127.6(6) . . . . ?
O5 La1 O3 C4 59.0(6) 3_575 . . . ?
O3W La1 O3 C4 12.2(7) . . . . ?
O1W La1 O3 C4 114.2(6) . . . . ?
O2W La1 O3 C4 -116.4(7) . . . . ?
O6 La1 O3 C4 110.7(6) 3_575 . . . ?
O2 La1 O3 C4 -74.5(6) . . . . ?
C1 La1 O3 C4 -96.4(6) . . . . ?
C9 La1 O3 C4 83.9(6) 3_575 . . . ?
La1 O1 C1 O2 5.8(7) . . . . ?
La1 O1 C1 C2 -172.0(5) . . . . ?
La1 O2 C1 O1 176.1(7) 2_655 . . . ?
La1 O2 C1 O1 -5.4(7) . . . . ?
La1 O2 C1 C2 -6.0(14) 2_655 . . . ?
La1 O2 C1 C2 172.5(6) . . . . ?
La1 O2 C1 La1 -178.5(10) 2_655 . . . ?
O2 La1 C1 O1 160.1(4) 2_655 . . . ?
O6 La1 C1 O1 -44.8(4) 1_655 . . . ?
O3 La1 C1 O1 -132.2(4) . . . . ?
O5 La1 C1 O1 95.2(5) 3_575 . . . ?
O3W La1 C1 O1 94.1(5) . . . . ?
O1W La1 C1 O1 26.9(4) . . . . ?
O2W La1 C1 O1 -112.6(5) . . . . ?
O6 La1 C1 O1 -7.9(6) 3_575 . . . ?
O2 La1 C1 O1 174.4(7) . . . . ?
C9 La1 C1 O1 47.2(7) 3_575 . . . ?
O2 La1 C1 O2 -14.4(3) 2_655 . . . ?
O6 La1 C1 O2 140.8(4) 1_655 . . . ?
O3 La1 C1 O2 53.4(4) . . . . ?
O1 La1 C1 O2 -174.4(7) . . . . ?
O5 La1 C1 O2 -79.2(5) 3_575 . . . ?
O3W La1 C1 O2 -80.4(4) . . . . ?
O1W La1 C1 O2 -147.6(4) . . . . ?
O2W La1 C1 O2 73.0(4) . . . . ?
O6 La1 C1 O2 177.7(3) 3_575 . . . ?
C9 La1 C1 O2 -127.3(5) 3_575 . . . ?
O2 La1 C1 C2 -134(3) 2_655 . . . ?
O6 La1 C1 C2 22(3) 1_655 . . . ?
O3 La1 C1 C2 -66(3) . . . . ?
O1 La1 C1 C2 66(3) . . . . ?
O5 La1 C1 C2 162(3) 3_575 . . . ?
O3W La1 C1 C2 160(3) . . . . ?
O1W La1 C1 C2 93(3) . . . . ?
O2W La1 C1 C2 -46(3) . . . . ?
O6 La1 C1 C2 59(4) 3_575 . . . ?
O2 La1 C1 C2 -119(4) . . . . ?
C9 La1 C1 C2 114(3) 3_575 . . . ?
O1 C1 C2 C3 6.7(11) . . . . ?
O2 C1 C2 C3 -171.2(7) . . . . ?
La1 C1 C2 C3 -56(4) . . . . ?
C1 C2 C3 C3 174.2(4) . . . 2_755 ?
La1 O3 C4 O4 66.3(10) . . . . ?
La1 O3 C4 C5 -111.8(7) . . . . ?
O4 C4 C5 C6 -19.8(11) . . . . ?
O3 C4 C5 C6 158.4(7) . . . . ?
C4 C5 C6 C7 -176.0(7) . . . . ?
C5 C6 C7 C8 169.9(8) . . . . ?
C6 C7 C8 C9 -176.8(7) . . . . ?
La1 O5 C9 O6 -6.3(6) 3_575 . . . ?
La1 O5 C9 C8 172.9(5) 3_575 . . . ?
La1 O6 C9 O5 -175.2(5) 1_455 . . . ?
La1 O6 C9 O5 6.2(6) 3_575 . . . ?
La1 O6 C9 C8 5.5(12) 1_455 . . . ?
La1 O6 C9 C8 -173.2(5) 3_575 . . . ?
La1 O6 C9 La1 178.7(9) 1_455 . . 3_575 ?
C7 C8 C9 O5 -19.1(11) . . . . ?
C7 C8 C9 O6 160.2(7) . . . . ?
C7 C8 C9 La1 76(4) . . . 3_575 ?
O7WC O7WA O7WB O8W -138(9) . . . 1_455 ?
O8W O7WB O7WC O7WA 64(13) 1_455 . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        24.99
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.177
_refine_diff_density_min         -1.895
_refine_diff_density_rms         0.152
_database_code_depnum_ccdc_archive 'CCDC 1012099'
