# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_20190406C_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2019548'
loop_
_audit_author_name
_audit_author_address
'Kejian Chang'
;Soochow university
China
;
_audit_update_record             
;
2020-07-28 deposited with the CCDC.	2021-05-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C86 H126 La2 O10'
_chemical_formula_weight         1597.69

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'
La La -0.2871 2.4523 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.4626(13)
_cell_length_b                   13.1639(14)
_cell_length_c                   13.6063(15)
_cell_angle_alpha                70.056(3)
_cell_angle_beta                 75.396(3)
_cell_angle_gamma                76.322(3)
_cell_volume                     2002.6(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9771
_cell_measurement_theta_min      2.57
_cell_measurement_theta_max      27.52

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_F_000             836
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.108
_shelx_estimated_absorpt_T_min   0.851
_shelx_estimated_absorpt_T_max   0.917
_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      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            66337
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.570
_diffrn_reflns_theta_max         27.565
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9231
_reflns_number_gt                8135
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0521P)²+1.4354P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9262
_refine_ls_number_parameters     460
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0297
_refine_ls_wR_factor_ref         0.0913
_refine_ls_wR_factor_gt          0.0786
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.000
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.34866(2) 0.53928(2) 0.10902(2) 0.01584(6) Uani 1 1 d . . . . .
C1 C 0.6380(2) 0.3911(2) 0.1256(2) 0.0169(5) Uani 1 1 d . . . . .
O1 O 0.54899(15) 0.45609(14) 0.09691(14) 0.0198(4) Uani 1 1 d . . . . .
O2 O 0.72436(15) 0.37424(15) 0.06005(14) 0.0204(4) Uani 1 1 d . . . . .
C2 C 0.7232(2) 0.2597(2) 0.26245(19) 0.0171(5) Uani 1 1 d . . . . .
O3 O 0.63013(14) 0.34232(14) 0.23001(14) 0.0175(4) Uani 1 1 d . . . . .
C3 C 0.8059(2) 0.2912(2) 0.2950(2) 0.0184(5) Uani 1 1 d . . . . .
O5 O 0.26719(16) 0.39993(15) 0.20766(15) 0.0229(4) Uani 1 1 d . . . . .
C5 C 0.9055(2) 0.1059(2) 0.3164(2) 0.0256(6) Uani 1 1 d . . . . .
H5 H 0.9709 0.0533 0.3308 0.031 Uiso 1 1 calc R U . . .
O4 O 0.29541(16) 0.68788(15) 0.15938(16) 0.0236(4) Uani 1 1 d . . . . .
C4 C 0.8982(2) 0.2104(2) 0.3208(2) 0.0217(5) Uani 1 1 d . . . . .
H4 H 0.9571 0.2278 0.3419 0.026 Uiso 1 1 calc R U . . .
C7 C 0.7229(2) 0.1531(2) 0.2644(2) 0.0206(5) Uani 1 1 d . . . . .
C6 C 0.8186(2) 0.0773(2) 0.2913(2) 0.0248(6) Uani 1 1 d . . . . .
H6 H 0.8238 0.0038 0.2923 0.030 Uiso 1 1 calc R U . . .
C8 C 0.7947(2) 0.4046(2) 0.3094(2) 0.0197(5) Uani 1 1 d . . . . .
C9 C 0.6888(2) 0.4215(2) 0.3934(2) 0.0240(6) Uani 1 1 d . . . . .
H9A H 0.6229 0.4144 0.3708 0.036 Uiso 1 1 calc R U . . .
H9B H 0.6788 0.4947 0.4011 0.036 Uiso 1 1 calc R U . . .
H9C H 0.6973 0.3660 0.4619 0.036 Uiso 1 1 calc R U . . .
C10 C 0.7886(2) 0.4979(2) 0.2044(2) 0.0253(6) Uani 1 1 d . . . . .
H10A H 0.8497 0.4800 0.1484 0.038 Uiso 1 1 calc R U . . .
H10B H 0.7962 0.5662 0.2139 0.038 Uiso 1 1 calc R U . . .
H10C H 0.7162 0.5068 0.1840 0.038 Uiso 1 1 calc R U . . .
C11 C 0.8964(2) 0.4117(2) 0.3500(2) 0.0249(6) Uani 1 1 d . . . . .
H11A H 0.9649 0.4032 0.2970 0.037 Uiso 1 1 calc R U . . .
H11B H 0.9034 0.3533 0.4170 0.037 Uiso 1 1 calc R U . . .
H11C H 0.8858 0.4831 0.3618 0.037 Uiso 1 1 calc R U . . .
C13 C 0.5494(3) 0.0800(4) 0.3631(3) 0.0604(13) Uani 1 1 d . . . . .
H13A H 0.5206 0.1458 0.3862 0.091 Uiso 1 1 calc R U . . .
H13B H 0.5943 0.0259 0.4135 0.091 Uiso 1 1 calc R U . . .
H13C H 0.4863 0.0489 0.3608 0.091 Uiso 1 1 calc R U . . .
C12 C 0.6225(2) 0.1098(2) 0.2531(2) 0.0244(6) Uani 1 1 d . . . . .
C14 C 0.5501(4) 0.1870(3) 0.1739(4) 0.0591(13) Uani 1 1 d . . . . .
H14A H 0.5980 0.2122 0.1041 0.089 Uiso 1 1 calc R U . . .
H14B H 0.5108 0.2503 0.1986 0.089 Uiso 1 1 calc R U . . .
H14C H 0.4950 0.1483 0.1679 0.089 Uiso 1 1 calc R U . . .
C15 C 0.6640(3) 0.0069(3) 0.2162(4) 0.0451(9) Uani 1 1 d . . . . .
H15A H 0.6007 -0.0143 0.2015 0.068 Uiso 1 1 calc R U . . .
H15B H 0.6964 -0.0531 0.2722 0.068 Uiso 1 1 calc R U . . .
H15C H 0.7214 0.0224 0.1513 0.068 Uiso 1 1 calc R U . . .
C18 C 0.0563(2) 0.8219(2) 0.3132(2) 0.0242(6) Uani 1 1 d . . . . .
H18 H -0.0230 0.8418 0.3198 0.029 Uiso 1 1 calc R U . . .
C17 C 0.1169(2) 0.7802(2) 0.2307(2) 0.0221(5) Uani 1 1 d . . . . .
C16 C 0.2346(2) 0.7457(2) 0.2264(2) 0.0194(5) Uani 1 1 d . . . . .
C19 C 0.1068(3) 0.8355(2) 0.3857(2) 0.0258(6) Uani 1 1 d . . . . .
H19 H 0.0625 0.8586 0.4446 0.031 Uiso 1 1 calc R U . . .
C20 C 0.2224(2) 0.8153(2) 0.3721(2) 0.0261(6) Uani 1 1 d . . . . .
H20 H 0.2574 0.8304 0.4189 0.031 Uiso 1 1 calc R U . . .
C21 C 0.2894(2) 0.7732(2) 0.2915(2) 0.0215(5) Uani 1 1 d . . . . .
C22 C 0.0593(2) 0.7774(2) 0.1440(2) 0.0247(6) Uani 1 1 d . . . . .
C23 C 0.0537(3) 0.6602(3) 0.1507(3) 0.0314(7) Uani 1 1 d . . . . .
H23A H 0.0140 0.6621 0.0962 0.047 Uiso 1 1 calc R U . . .
H23B H 0.0134 0.6240 0.2213 0.047 Uiso 1 1 calc R U . . .
H23C H 0.1301 0.6195 0.1388 0.047 Uiso 1 1 calc R U . . .
C24 C 0.1206(3) 0.8373(3) 0.0331(2) 0.0331(7) Uani 1 1 d . . . . .
H24A H 0.1980 0.7989 0.0203 0.050 Uiso 1 1 calc R U . . .
H24B H 0.1216 0.9126 0.0299 0.050 Uiso 1 1 calc R U . . .
H24C H 0.0813 0.8384 -0.0213 0.050 Uiso 1 1 calc R U . . .
C25 C -0.0620(3) 0.8398(3) 0.1546(3) 0.0379(8) Uani 1 1 d . . . . .
H25A H -0.0618 0.9147 0.1530 0.057 Uiso 1 1 calc R U . . .
H25B H -0.1067 0.8024 0.2222 0.057 Uiso 1 1 calc R U . . .
H25C H -0.0948 0.8419 0.0955 0.057 Uiso 1 1 calc R U . . .
C26 C 0.4179(2) 0.7659(2) 0.2686(3) 0.0273(6) Uani 1 1 d . . . . .
C27 C 0.4532(3) 0.8408(3) 0.1564(3) 0.0352(7) Uani 1 1 d . . . . .
H27A H 0.4312 0.8167 0.1047 0.053 Uiso 1 1 calc R U . . .
H27B H 0.5349 0.8375 0.1406 0.053 Uiso 1 1 calc R U . . .
H27C H 0.4161 0.9163 0.1518 0.053 Uiso 1 1 calc R U . . .
C28 C 0.4555(3) 0.8079(3) 0.3454(3) 0.0420(8) Uani 1 1 d . . . . .
H28A H 0.5370 0.8060 0.3265 0.063 Uiso 1 1 calc R U . . .
H28B H 0.4358 0.7610 0.4185 0.063 Uiso 1 1 calc R U . . .
H28C H 0.4174 0.8833 0.3399 0.063 Uiso 1 1 calc R U . . .
C29 C 0.4821(3) 0.6492(3) 0.2816(4) 0.0475(10) Uani 1 1 d . . . . .
H29A H 0.4729 0.6230 0.2253 0.071 Uiso 1 1 calc R U . . .
H29B H 0.4524 0.6011 0.3513 0.071 Uiso 1 1 calc R U . . .
H29C H 0.5621 0.6485 0.2766 0.071 Uiso 1 1 calc R U . . .
C30 C 0.2412(2) 0.3012(2) 0.2720(2) 0.0198(5) Uani 1 1 d . . . . .
C31 C 0.2345(2) 0.2739(2) 0.3829(2) 0.0205(5) Uani 1 1 d . . . . .
C32 C 0.2131(2) 0.1699(2) 0.4458(2) 0.0247(6) Uani 1 1 d . . . . .
H32 H 0.2074 0.1505 0.5206 0.030 Uiso 1 1 calc R U . . .
C33 C 0.1998(2) 0.0943(2) 0.4020(2) 0.0260(6) Uani 1 1 d . . . . .
H33 H 0.1881 0.0228 0.4463 0.031 Uiso 1 1 calc R U . . .
C34 C 0.2036(2) 0.1224(2) 0.2939(2) 0.0249(6) Uani 1 1 d . . . . .
H34 H 0.1928 0.0702 0.2648 0.030 Uiso 1 1 calc R U . . .
C35 C 0.2230(2) 0.2262(2) 0.2261(2) 0.0219(5) Uani 1 1 d . . . . .
C36 C 0.2498(2) 0.3561(2) 0.4347(2) 0.0231(6) Uani 1 1 d . . . . .
C37 C 0.1631(3) 0.4616(3) 0.4108(3) 0.0389(8) Uani 1 1 d . . . . .
H37A H 0.1702 0.4948 0.3336 0.058 Uiso 1 1 calc R U . . .
H37B H 0.1766 0.5132 0.4423 0.058 Uiso 1 1 calc R U . . .
H37C H 0.0872 0.4441 0.4414 0.058 Uiso 1 1 calc R U . . .
C38 C 0.3703(3) 0.3813(3) 0.3974(3) 0.0384(8) Uani 1 1 d . . . . .
H38A H 0.4232 0.3147 0.4232 0.058 Uiso 1 1 calc R U . . .
H38B H 0.3771 0.4382 0.4257 0.058 Uiso 1 1 calc R U . . .
H38C H 0.3875 0.4070 0.3195 0.058 Uiso 1 1 calc R U . . .
C39 C 0.2336(3) 0.3091(3) 0.5564(2) 0.0359(7) Uani 1 1 d . . . . .
H39A H 0.2878 0.2417 0.5756 0.054 Uiso 1 1 calc R U . . .
H39B H 0.1570 0.2929 0.5852 0.054 Uiso 1 1 calc R U . . .
H39C H 0.2455 0.3629 0.5861 0.054 Uiso 1 1 calc R U . . .
C40 C 0.2164(2) 0.2586(2) 0.1076(2) 0.0267(6) Uani 1 1 d . . . . .
C41 C 0.3248(3) 0.2936(3) 0.0342(3) 0.0422(8) Uani 1 1 d . . . . .
H41A H 0.3868 0.2317 0.0455 0.063 Uiso 1 1 calc R U . . .
H41B H 0.3417 0.3546 0.0502 0.063 Uiso 1 1 calc R U . . .
H41C H 0.3154 0.3168 -0.0401 0.063 Uiso 1 1 calc R U . . .
C42 C 0.1159(3) 0.3511(3) 0.0849(3) 0.0371(8) Uani 1 1 d . . . . .
H42A H 0.1259 0.4145 0.1020 0.056 Uiso 1 1 calc R U . . .
H42B H 0.0464 0.3255 0.1289 0.056 Uiso 1 1 calc R U . . .
H42C H 0.1112 0.3724 0.0096 0.056 Uiso 1 1 calc R U . . .
C43 C 0.1963(4) 0.1628(3) 0.0784(3) 0.0560(11) Uani 1 1 d . . . . .
H43A H 0.1924 0.1861 0.0027 0.084 Uiso 1 1 calc R U . . .
H43B H 0.1254 0.1395 0.1211 0.084 Uiso 1 1 calc R U . . .
H43C H 0.2583 0.1014 0.0928 0.084 Uiso 1 1 calc R U . . .


_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 O5 2.1706(18) . ?
La1 O4 2.1926(18) . ?
La1 O1 2.4662(18) . ?
La1 O2 2.4889(18) 2_665 ?
La1 O1 2.7567(18) 2_665 ?
La1 C1 2.978(3) 2_665 ?
C1 O2 1.242(3) . ?
C1 O1 1.287(3) . ?
C1 O3 1.333(3) . ?
C1 La1 2.978(3) 2_665 ?
O1 La1 2.7567(18) 2_665 ?
O2 La1 2.4889(18) 2_665 ?
C2 C7 1.396(4) . ?
C2 C3 1.410(4) . ?
C2 O3 1.434(3) . ?
C3 C4 1.396(4) . ?
C3 C8 1.541(4) . ?
O5 C30 1.357(3) . ?
C5 C6 1.378(4) . ?
C5 C4 1.378(4) . ?
C5 H5 0.9500 . ?
O4 C16 1.355(3) . ?
C4 H4 0.9500 . ?
C7 C6 1.400(4) . ?
C7 C12 1.552(4) . ?
C6 H6 0.9500 . ?
C8 C11 1.537(4) . ?
C8 C10 1.539(4) . ?
C8 C9 1.540(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C13 C12 1.518(5) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C12 C14 1.523(5) . ?
C12 C15 1.535(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C18 C19 1.374(4) . ?
C18 C17 1.390(4) . ?
C18 H18 0.9500 . ?
C17 C16 1.421(4) . ?
C17 C22 1.542(4) . ?
C16 C21 1.422(4) . ?
C19 C20 1.378(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.392(4) . ?
C20 H20 0.9500 . ?
C21 C26 1.540(4) . ?
C22 C23 1.532(4) . ?
C22 C25 1.537(4) . ?
C22 C24 1.541(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.529(4) . ?
C26 C29 1.529(4) . ?
C26 C28 1.541(4) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.412(4) . ?
C30 C35 1.419(4) . ?
C31 C32 1.391(4) . ?
C31 C36 1.546(4) . ?
C32 C33 1.381(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.380(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.400(4) . ?
C34 H34 0.9500 . ?
C35 C40 1.540(4) . ?
C36 C39 1.535(4) . ?
C36 C38 1.536(4) . ?
C36 C37 1.537(4) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.528(4) . ?
C40 C43 1.534(5) . ?
C40 C42 1.538(4) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?

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
O5 La1 O4 116.32(7) . . ?
O5 La1 O1 101.62(7) . . ?
O4 La1 O1 117.44(7) . . ?
O5 La1 O2 110.47(7) . 2_665 ?
O4 La1 O2 94.06(7) . 2_665 ?
O1 La1 O2 117.63(6) . 2_665 ?
O5 La1 O1 117.96(6) . 2_665 ?
O4 La1 O1 122.33(6) . 2_665 ?
O1 La1 O1 68.32(6) . 2_665 ?
O2 La1 O1 49.55(6) 2_665 2_665 ?
O5 La1 C1 119.02(7) . 2_665 ?
O4 La1 C1 107.15(7) . 2_665 ?
O1 La1 C1 93.44(6) . 2_665 ?
O2 La1 C1 24.19(6) 2_665 2_665 ?
O1 La1 C1 25.57(6) 2_665 2_665 ?
O2 C1 O1 122.0(2) . . ?
O2 C1 O3 122.7(2) . . ?
O1 C1 O3 115.3(2) . . ?
O2 C1 La1 55.24(13) . 2_665 ?
O1 C1 La1 67.56(13) . 2_665 ?
O3 C1 La1 169.58(17) . 2_665 ?
C1 O1 La1 158.41(17) . . ?
C1 O1 La1 86.87(14) . 2_665 ?
La1 O1 La1 111.68(6) . 2_665 ?
C1 O2 La1 100.57(15) . 2_665 ?
C7 C2 C3 124.6(2) . . ?
C7 C2 O3 117.9(2) . . ?
C3 C2 O3 117.4(2) . . ?
C1 O3 C2 116.12(19) . . ?
C4 C3 C2 116.0(2) . . ?
C4 C3 C8 120.3(2) . . ?
C2 C3 C8 123.6(2) . . ?
C30 O5 La1 166.56(17) . . ?
C6 C5 C4 120.4(3) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C16 O4 La1 153.08(17) . . ?
C5 C4 C3 121.2(3) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C2 C7 C6 115.3(2) . . ?
C2 C7 C12 126.1(2) . . ?
C6 C7 C12 118.2(2) . . ?
C5 C6 C7 122.1(3) . . ?
C5 C6 H6 118.9 . . ?
C7 C6 H6 118.9 . . ?
C11 C8 C10 106.9(2) . . ?
C11 C8 C9 107.8(2) . . ?
C10 C8 C9 110.4(2) . . ?
C11 C8 C3 110.9(2) . . ?
C10 C8 C3 112.2(2) . . ?
C9 C8 C3 108.6(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C13 C12 C14 109.1(3) . . ?
C13 C12 C15 109.1(3) . . ?
C14 C12 C15 104.7(3) . . ?
C13 C12 C7 106.4(3) . . ?
C14 C12 C7 116.8(2) . . ?
C15 C12 C7 110.6(2) . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C19 C18 C17 122.4(3) . . ?
C19 C18 H18 118.8 . . ?
C17 C18 H18 118.8 . . ?
C18 C17 C16 117.5(3) . . ?
C18 C17 C22 121.0(2) . . ?
C16 C17 C22 121.5(2) . . ?
O4 C16 C17 120.3(2) . . ?
O4 C16 C21 119.7(2) . . ?
C17 C16 C21 120.0(2) . . ?
C18 C19 C20 119.3(3) . . ?
C18 C19 H19 120.4 . . ?
C20 C19 H19 120.4 . . ?
C19 C20 C21 121.7(3) . . ?
C19 C20 H20 119.1 . . ?
C21 C20 H20 119.1 . . ?
C20 C21 C16 117.9(2) . . ?
C20 C21 C26 120.5(3) . . ?
C16 C21 C26 121.4(2) . . ?
C23 C22 C25 107.2(3) . . ?
C23 C22 C24 110.7(2) . . ?
C25 C22 C24 105.7(2) . . ?
C23 C22 C17 112.0(2) . . ?
C25 C22 C17 111.0(2) . . ?
C24 C22 C17 109.9(2) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C29 110.9(3) . . ?
C27 C26 C21 108.4(2) . . ?
C29 C26 C21 113.5(2) . . ?
C27 C26 C28 106.8(3) . . ?
C29 C26 C28 105.7(3) . . ?
C21 C26 C28 111.3(3) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O5 C30 C31 119.7(2) . . ?
O5 C30 C35 119.2(2) . . ?
C31 C30 C35 121.1(2) . . ?
C32 C31 C30 118.1(2) . . ?
C32 C31 C36 120.1(2) . . ?
C30 C31 C36 121.8(2) . . ?
C33 C32 C31 121.6(3) . . ?
C33 C32 H32 119.2 . . ?
C31 C32 H32 119.2 . . ?
C34 C33 C32 120.0(3) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 121.4(3) . . ?
C33 C34 H34 119.3 . . ?
C35 C34 H34 119.3 . . ?
C34 C35 C30 117.7(2) . . ?
C34 C35 C40 120.1(2) . . ?
C30 C35 C40 122.0(2) . . ?
C39 C36 C38 105.7(3) . . ?
C39 C36 C37 106.4(3) . . ?
C38 C36 C37 111.1(3) . . ?
C39 C36 C31 111.9(2) . . ?
C38 C36 C31 110.2(2) . . ?
C37 C36 C31 111.2(2) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C43 106.3(3) . . ?
C41 C40 C42 110.5(3) . . ?
C43 C40 C42 106.9(3) . . ?
C41 C40 C35 112.4(2) . . ?
C43 C40 C35 111.6(3) . . ?
C42 C40 C35 109.0(2) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?

_refine_diff_density_max         1.868
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.092

_shelxl_version_number           2013-2

