# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1405026'
_audit_update_record             
;
2015-11-23 deposited with the CCDC.
2016-04-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H70 Fe La N O2 S2 Si2, C6 H14'
_chemical_formula_sum            'C52 H84 Fe La N O2 S2 Si2'
_chemical_formula_weight         1070.26

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'
Fe Fe 0.3463 0.8444 '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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.0044(10)
_cell_length_b                   29.326(3)
_cell_length_c                   19.1690(19)
_cell_angle_alpha                90
_cell_angle_beta                 92.678(2)
_cell_angle_gamma                90
_cell_volume                     5617.8(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9050
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      24.68

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_F_000             2248
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    1.161
_shelx_estimated_absorpt_T_min   0.752
_shelx_estimated_absorpt_T_max   0.810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5330
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'Sadabs Bruker'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         microsource
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            67369
_diffrn_reflns_av_unetI/netI     0.0931
_diffrn_reflns_av_R_equivalents  0.0899
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.038
_diffrn_reflns_theta_max         27.910
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.920
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.920
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             12368
_reflns_number_gt                9220
_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 SMART (2001)'
_computing_cell_refinement       'Bruker SMART (2001)'
_computing_data_reduction        'Bruker SAINT+ (1999)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP-III (Farrugia, 1999)'

_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)+(0.0187P)²+2.0815P] 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         12368
_refine_ls_number_parameters     570
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0423
_refine_ls_wR_factor_ref         0.0957
_refine_ls_wR_factor_gt          0.0905
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_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 0.69972(2) 0.08749(2) 0.28776(2) 0.01551(6) Uani 1 1 d . . . . .
Fe1 Fe 1.03406(5) -0.03426(2) 0.35744(3) 0.01941(12) Uani 1 1 d . . . . .
N1 N 0.6103(3) 0.14046(9) 0.36605(14) 0.0185(6) Uani 1 1 d . . . . .
O1 O 0.5550(2) 0.03119(7) 0.26695(11) 0.0184(5) Uani 1 1 d . . . . .
O2 O 0.7787(2) 0.12337(8) 0.19549(11) 0.0210(5) Uani 1 1 d . . . . .
S1 S 0.75134(9) 0.01547(3) 0.40598(4) 0.01761(19) Uani 1 1 d . . . . .
S2 S 0.95087(9) 0.03912(3) 0.23368(4) 0.01942(19) Uani 1 1 d . . . . .
Si1 Si 0.73354(10) 0.17229(3) 0.40544(5) 0.0224(2) Uani 1 1 d . . . . .
Si2 Si 0.44186(10) 0.14554(3) 0.37667(5) 0.0217(2) Uani 1 1 d . . . . .
C1 C 0.5382(3) -0.01392(11) 0.27008(17) 0.0160(7) Uani 1 1 d . . . . .
C2 C 0.5513(3) -0.03571(11) 0.33503(16) 0.0147(7) Uani 1 1 d . . . . .
C3 C 0.5423(3) -0.08240(11) 0.34042(17) 0.0180(7) Uani 1 1 d . . . . .
H3 H 0.5538 -0.0962 0.3852 0.022 Uiso 1 1 calc R U . . .
C4 C 0.5170(3) -0.11002(11) 0.28229(18) 0.0185(7) Uani 1 1 d . . . . .
C5 C 0.5003(3) -0.08756(12) 0.21833(18) 0.0212(8) Uani 1 1 d . . . . .
H5 H 0.4797 -0.1055 0.1780 0.025 Uiso 1 1 calc R U . . .
C6 C 0.5119(3) -0.04079(11) 0.20955(17) 0.0182(7) Uani 1 1 d . . . . .
C7 C 0.5013(4) -0.16176(12) 0.2876(2) 0.0284(9) Uani 1 1 d . . . . .
C8 C 0.3529(5) -0.17326(15) 0.2908(3) 0.0567(14) Uani 1 1 d . . . . .
H8A H 0.3177 -0.1599 0.3331 0.085 Uiso 1 1 calc R U . . .
H8B H 0.3417 -0.2064 0.2919 0.085 Uiso 1 1 calc R U . . .
H8C H 0.3041 -0.1608 0.2496 0.085 Uiso 1 1 calc R U . . .
C9 C 0.5569(7) -0.18554(15) 0.2246(3) 0.081(2) Uani 1 1 d . . . . .
H9A H 0.5021 -0.1777 0.1826 0.121 Uiso 1 1 calc R U . . .
H9B H 0.5550 -0.2186 0.2318 0.121 Uiso 1 1 calc R U . . .
H9C H 0.6493 -0.1756 0.2190 0.121 Uiso 1 1 calc R U . . .
C10 C 0.5759(4) -0.18022(13) 0.3536(2) 0.0417(11) Uani 1 1 d . . . . .
H10A H 0.6699 -0.1708 0.3539 0.063 Uiso 1 1 calc R U . . .
H10B H 0.5707 -0.2136 0.3539 0.063 Uiso 1 1 calc R U . . .
H10C H 0.5346 -0.1681 0.3951 0.063 Uiso 1 1 calc R U . . .
C11 C 0.4987(4) -0.01851(12) 0.13679(17) 0.0212(8) Uani 1 1 d . . . . .
C12 C 0.3830(4) 0.01597(12) 0.13303(18) 0.0259(9) Uani 1 1 d . . . . .
H12A H 0.2989 0.0002 0.1414 0.039 Uiso 1 1 calc R U . . .
H12B H 0.3773 0.0301 0.0867 0.039 Uiso 1 1 calc R U . . .
H12C H 0.3992 0.0396 0.1686 0.039 Uiso 1 1 calc R U . . .
C13 C 0.4705(4) -0.05443(13) 0.07906(18) 0.0316(10) Uani 1 1 d . . . . .
H13A H 0.3889 -0.0713 0.0888 0.047 Uiso 1 1 calc R U . . .
H13B H 0.5460 -0.0757 0.0780 0.047 Uiso 1 1 calc R U . . .
H13C H 0.4587 -0.0391 0.0337 0.047 Uiso 1 1 calc R U . . .
C14 C 0.6321(4) 0.00456(13) 0.12049(18) 0.0263(9) Uani 1 1 d . . . . .
H14A H 0.6259 0.0169 0.0729 0.039 Uiso 1 1 calc R U . . .
H14B H 0.7045 -0.0179 0.1244 0.039 Uiso 1 1 calc R U . . .
H14C H 0.6506 0.0294 0.1538 0.039 Uiso 1 1 calc R U . . .
C15 C 0.5798(3) -0.00765(11) 0.39961(17) 0.0180(7) Uani 1 1 d . . . . .
H15A H 0.5655 -0.0268 0.4412 0.022 Uiso 1 1 calc R U . . .
H15B H 0.5154 0.0180 0.4000 0.022 Uiso 1 1 calc R U . . .
C16 C 0.8462(3) -0.03375(11) 0.39125(17) 0.0183(7) Uani 1 1 d . . . . .
C17 C 0.8512(3) -0.05939(11) 0.32788(18) 0.0209(8) Uani 1 1 d . . . . .
H17 H 0.8026 -0.0530 0.2852 0.025 Uiso 1 1 calc R U . . .
C18 C 0.9418(4) -0.09603(12) 0.3403(2) 0.0276(9) Uani 1 1 d . . . . .
H18 H 0.9640 -0.1186 0.3073 0.033 Uiso 1 1 calc R U . . .
C19 C 0.9935(4) -0.09333(13) 0.4099(2) 0.0322(10) Uani 1 1 d . . . . .
H19 H 1.0571 -0.1135 0.4316 0.039 Uiso 1 1 calc R U . . .
C20 C 0.9341(4) -0.05528(13) 0.44201(19) 0.0255(8) Uani 1 1 d . . . . .
H20 H 0.9499 -0.0458 0.4890 0.031 Uiso 1 1 calc R U . . .
C21 C 1.0766(3) 0.01594(12) 0.29066(17) 0.0199(8) Uani 1 1 d . . . . .
C22 C 1.1530(3) -0.02334(12) 0.27576(19) 0.0243(8) Uani 1 1 d . . . . .
H22 H 1.1508 -0.0397 0.2329 0.029 Uiso 1 1 calc R U . . .
C23 C 1.2330(4) -0.03373(13) 0.3364(2) 0.0308(9) Uani 1 1 d . . . . .
H23 H 1.2938 -0.0585 0.3413 0.037 Uiso 1 1 calc R U . . .
C24 C 1.2076(4) -0.00120(13) 0.3886(2) 0.0276(9) Uani 1 1 d . . . . .
H24 H 1.2479 -0.0004 0.4344 0.033 Uiso 1 1 calc R U . . .
C25 C 1.1112(3) 0.03010(12) 0.36037(18) 0.0235(8) Uani 1 1 d . . . . .
H25 H 1.0761 0.0558 0.3837 0.028 Uiso 1 1 calc R U . . .
C26 C 1.0362(3) 0.08696(12) 0.19212(17) 0.0226(8) Uani 1 1 d . . . . .
H26A H 1.0454 0.1128 0.2253 0.027 Uiso 1 1 calc R U . . .
H26B H 1.1270 0.0774 0.1798 0.027 Uiso 1 1 calc R U . . .
C27 C 0.9580(3) 0.10201(11) 0.12737(17) 0.0180(7) Uani 1 1 d . . . . .
C28 C 0.8312(4) 0.12173(11) 0.13246(17) 0.0194(8) Uani 1 1 d . . . . .
C29 C 0.7640(3) 0.13908(11) 0.07167(17) 0.0185(7) Uani 1 1 d . . . . .
C30 C 0.8230(4) 0.13262(11) 0.00808(17) 0.0211(8) Uani 1 1 d . . . . .
H30 H 0.7778 0.1440 -0.0330 0.025 Uiso 1 1 calc R U . . .
C31 C 0.9449(4) 0.11036(12) 0.00152(17) 0.0224(8) Uani 1 1 d . . . . .
C32 C 1.0121(4) 0.09574(11) 0.06255(17) 0.0212(8) Uani 1 1 d . . . . .
H32 H 1.0965 0.0812 0.0599 0.025 Uiso 1 1 calc R U . . .
C33 C 1.0036(4) 0.09961(13) -0.06964(18) 0.0277(9) Uani 1 1 d . . . . .
C34 C 1.0016(4) 0.04818(13) -0.0799(2) 0.0362(10) Uani 1 1 d . . . . .
H34A H 1.0568 0.0337 -0.0426 0.054 Uiso 1 1 calc R U . . .
H34B H 1.0374 0.0407 -0.1252 0.054 Uiso 1 1 calc R U . . .
H34C H 0.9094 0.0370 -0.0785 0.054 Uiso 1 1 calc R U . . .
C35 C 1.1478(4) 0.11650(16) -0.0722(2) 0.0441(12) Uani 1 1 d . . . . .
H35A H 1.1495 0.1498 -0.0682 0.066 Uiso 1 1 calc R U . . .
H35B H 1.1847 0.1074 -0.1165 0.066 Uiso 1 1 calc R U . . .
H35C H 1.2017 0.1031 -0.0334 0.066 Uiso 1 1 calc R U . . .
C36 C 0.9202(5) 0.12153(15) -0.13030(19) 0.0428(11) Uani 1 1 d . . . . .
H36A H 0.8292 0.1090 -0.1316 0.064 Uiso 1 1 calc R U . . .
H36B H 0.9616 0.1149 -0.1745 0.064 Uiso 1 1 calc R U . . .
H36C H 0.9166 0.1546 -0.1234 0.064 Uiso 1 1 calc R U . . .
C37 C 0.6292(4) 0.16417(11) 0.07585(18) 0.0226(8) Uani 1 1 d . . . . .
C38 C 0.6428(4) 0.20470(12) 0.1266(2) 0.0346(10) Uani 1 1 d . . . . .
H38A H 0.5553 0.2192 0.1308 0.052 Uiso 1 1 calc R U . . .
H38B H 0.7060 0.2269 0.1089 0.052 Uiso 1 1 calc R U . . .
H38C H 0.6758 0.1938 0.1726 0.052 Uiso 1 1 calc R U . . .
C39 C 0.5791(4) 0.18384(14) 0.00480(19) 0.0354(10) Uani 1 1 d . . . . .
H39A H 0.5661 0.1590 -0.0290 0.053 Uiso 1 1 calc R U . . .
H39B H 0.6454 0.2053 -0.0120 0.053 Uiso 1 1 calc R U . . .
H39C H 0.4940 0.1997 0.0102 0.053 Uiso 1 1 calc R U . . .
C40 C 0.5201(4) 0.13148(13) 0.09906(19) 0.0299(9) Uani 1 1 d . . . . .
H40A H 0.4343 0.1476 0.0991 0.045 Uiso 1 1 calc R U . . .
H40B H 0.5437 0.1203 0.1462 0.045 Uiso 1 1 calc R U . . .
H40C H 0.5127 0.1057 0.0667 0.045 Uiso 1 1 calc R U . . .
C41 C 0.8987(4) 0.14303(13) 0.3873(2) 0.0293(9) Uani 1 1 d . . . . .
H41A H 0.8962 0.1114 0.4035 0.044 Uiso 1 1 calc R U . . .
H41B H 0.9724 0.1592 0.4120 0.044 Uiso 1 1 calc R U . . .
H41C H 0.9122 0.1435 0.3370 0.044 Uiso 1 1 calc R U . . .
C42 C 0.7435(4) 0.23102(12) 0.3689(2) 0.0340(10) Uani 1 1 d . . . . .
H42A H 0.7594 0.2293 0.3189 0.051 Uiso 1 1 calc R U . . .
H42B H 0.8172 0.2476 0.3930 0.051 Uiso 1 1 calc R U . . .
H42C H 0.6592 0.2471 0.3756 0.051 Uiso 1 1 calc R U . . .
C43 C 0.7249(4) 0.17581(14) 0.50209(19) 0.0339(10) Uani 1 1 d . . . . .
H43A H 0.6456 0.1933 0.5138 0.051 Uiso 1 1 calc R U . . .
H43B H 0.8054 0.1909 0.5218 0.051 Uiso 1 1 calc R U . . .
H43C H 0.7191 0.1450 0.5215 0.051 Uiso 1 1 calc R U . . .
C44 C 0.3863(4) 0.20523(13) 0.3908(2) 0.0434(11) Uani 1 1 d . . . . .
H44A H 0.4319 0.2174 0.4332 0.065 Uiso 1 1 calc R U . . .
H44B H 0.2893 0.2057 0.3961 0.065 Uiso 1 1 calc R U . . .
H44C H 0.4083 0.2240 0.3506 0.065 Uiso 1 1 calc R U . . .
C45 C 0.3864(4) 0.11234(13) 0.4538(2) 0.0351(10) Uani 1 1 d . . . . .
H45A H 0.3999 0.0797 0.4457 0.053 Uiso 1 1 calc R U . . .
H45B H 0.2913 0.1182 0.4603 0.053 Uiso 1 1 calc R U . . .
H45C H 0.4390 0.1218 0.4958 0.053 Uiso 1 1 calc R U . . .
C46 C 0.3478(4) 0.12263(15) 0.2978(2) 0.0378(10) Uani 1 1 d . . . . .
H46A H 0.3759 0.1387 0.2561 0.057 Uiso 1 1 calc R U . . .
H46B H 0.2516 0.1272 0.3027 0.057 Uiso 1 1 calc R U . . .
H46C H 0.3664 0.0900 0.2932 0.057 Uiso 1 1 calc R U . . .
C47 C 1.0356(7) 0.2708(2) 0.2629(4) 0.101(2) Uani 1 1 d . . . . .
H47A H 1.1219 0.2864 0.2697 0.152 Uiso 1 1 calc R U . . .
H47B H 0.9883 0.2716 0.3065 0.152 Uiso 1 1 calc R U . . .
H47C H 0.9816 0.2862 0.2260 0.152 Uiso 1 1 calc R U . . .
C48 C 1.0585(6) 0.22271(18) 0.2425(3) 0.0648(15) Uani 1 1 d . . . . .
H48A H 0.9704 0.2081 0.2330 0.078 Uiso 1 1 calc R U . . .
H48B H 1.1028 0.2067 0.2827 0.078 Uiso 1 1 calc R U . . .
C49 C 1.1417(5) 0.21558(17) 0.1796(3) 0.0613(15) Uani 1 1 d . . . . .
H49A H 1.2289 0.2311 0.1878 0.074 Uiso 1 1 calc R U . . .
H49B H 1.1595 0.1826 0.1744 0.074 Uiso 1 1 calc R U . . .
C50 C 1.0775(5) 0.23289(18) 0.1136(3) 0.0599(14) Uani 1 1 d . . . . .
H50A H 1.0601 0.2659 0.1188 0.072 Uiso 1 1 calc R U . . .
H50B H 0.9900 0.2175 0.1057 0.072 Uiso 1 1 calc R U . . .
C51 C 1.1602(5) 0.22563(17) 0.0493(3) 0.0566(14) Uani 1 1 d . . . . .
H51A H 1.2457 0.2425 0.0553 0.068 Uiso 1 1 calc R U . . .
H51B H 1.1814 0.1928 0.0447 0.068 Uiso 1 1 calc R U . . .
C52 C 1.0847(6) 0.2420(2) -0.0167(3) 0.0755(18) Uani 1 1 d . . . . .
H52A H 0.9994 0.2256 -0.0223 0.113 Uiso 1 1 calc R U . . .
H52B H 1.1383 0.2360 -0.0572 0.113 Uiso 1 1 calc R U . . .
H52C H 1.0677 0.2748 -0.0132 0.113 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 O1 2.220(2) . ?
La1 O2 2.234(2) . ?
La1 N1 2.364(3) . ?
La1 S2 3.1054(9) . ?
La1 S1 3.1229(9) . ?
La1 Si1 3.3640(10) . ?
Fe1 C21 2.009(3) . ?
Fe1 C16 2.016(3) . ?
Fe1 C17 2.028(3) . ?
Fe1 C22 2.036(3) . ?
Fe1 C25 2.039(4) . ?
Fe1 C20 2.040(4) . ?
Fe1 C23 2.049(4) . ?
Fe1 C18 2.052(4) . ?
Fe1 C24 2.053(4) . ?
Fe1 C19 2.053(4) . ?
N1 Si1 1.695(3) . ?
N1 Si2 1.713(3) . ?
O1 C1 1.335(4) . ?
O2 C28 1.340(4) . ?
S1 C16 1.758(3) . ?
S1 C15 1.844(3) . ?
S2 C21 1.763(3) . ?
S2 C26 1.842(3) . ?
Si1 C43 1.862(4) . ?
Si1 C42 1.863(4) . ?
Si1 C41 1.908(4) . ?
Si2 C44 1.860(4) . ?
Si2 C46 1.868(4) . ?
Si2 C45 1.876(4) . ?
C1 C2 1.400(4) . ?
C1 C6 1.417(4) . ?
C2 C3 1.376(4) . ?
C2 C15 1.503(4) . ?
C3 C4 1.391(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.395(5) . ?
C4 C7 1.529(5) . ?
C5 C6 1.387(5) . ?
C5 H5 0.9500 . ?
C6 C11 1.540(5) . ?
C7 C9 1.521(6) . ?
C7 C8 1.526(6) . ?
C7 C10 1.538(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
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 C12 1.536(5) . ?
C11 C14 1.541(5) . ?
C11 C13 1.544(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C20 1.427(5) . ?
C16 C17 1.431(5) . ?
C17 C18 1.419(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.410(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.418(5) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.419(5) . ?
C21 C25 1.426(5) . ?
C22 C23 1.413(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.414(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.420(5) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.502(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C32 1.390(5) . ?
C27 C28 1.402(5) . ?
C28 C29 1.413(5) . ?
C29 C30 1.392(5) . ?
C29 C37 1.542(5) . ?
C30 C31 1.394(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.389(5) . ?
C31 C33 1.542(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.521(5) . ?
C33 C35 1.528(5) . ?
C33 C36 1.540(5) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C40 1.534(5) . ?
C37 C38 1.539(5) . ?
C37 C39 1.541(5) . ?
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 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
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 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C48 1.485(7) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.511(7) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.481(7) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.532(7) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.520(6) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 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
O1 La1 O2 117.38(8) . . ?
O1 La1 N1 109.86(9) . . ?
O2 La1 N1 110.57(9) . . ?
O1 La1 S2 97.56(6) . . ?
O2 La1 S2 68.23(6) . . ?
N1 La1 S2 147.99(7) . . ?
O1 La1 S1 73.25(6) . . ?
O2 La1 S1 147.18(6) . . ?
N1 La1 S1 92.20(7) . . ?
S2 La1 S1 79.88(2) . . ?
O1 La1 Si1 135.62(6) . . ?
O2 La1 Si1 98.88(6) . . ?
N1 La1 Si1 28.10(7) . . ?
S2 La1 Si1 120.26(2) . . ?
S1 La1 Si1 90.31(2) . . ?
C21 Fe1 C16 115.32(14) . . ?
C21 Fe1 C17 107.65(14) . . ?
C16 Fe1 C17 41.45(13) . . ?
C21 Fe1 C22 41.06(14) . . ?
C16 Fe1 C22 146.42(14) . . ?
C17 Fe1 C22 113.21(15) . . ?
C21 Fe1 C25 41.26(13) . . ?
C16 Fe1 C25 109.97(14) . . ?
C17 Fe1 C25 132.78(14) . . ?
C22 Fe1 C25 69.00(14) . . ?
C21 Fe1 C20 148.66(14) . . ?
C16 Fe1 C20 41.20(13) . . ?
C17 Fe1 C20 69.07(14) . . ?
C22 Fe1 C20 170.01(14) . . ?
C25 Fe1 C20 117.19(15) . . ?
C21 Fe1 C23 68.44(14) . . ?
C16 Fe1 C23 172.56(15) . . ?
C17 Fe1 C23 145.02(15) . . ?
C22 Fe1 C23 40.49(14) . . ?
C25 Fe1 C23 68.20(15) . . ?
C20 Fe1 C23 132.51(15) . . ?
C21 Fe1 C18 130.68(15) . . ?
C16 Fe1 C18 68.85(14) . . ?
C17 Fe1 C18 40.70(14) . . ?
C22 Fe1 C18 106.88(15) . . ?
C25 Fe1 C18 171.20(15) . . ?
C20 Fe1 C18 68.08(15) . . ?
C23 Fe1 C18 114.12(15) . . ?
C21 Fe1 C24 68.77(14) . . ?
C16 Fe1 C24 133.73(15) . . ?
C17 Fe1 C24 172.92(15) . . ?
C22 Fe1 C24 68.45(15) . . ?
C25 Fe1 C24 40.62(14) . . ?
C20 Fe1 C24 110.56(15) . . ?
C23 Fe1 C24 40.33(15) . . ?
C18 Fe1 C24 146.22(15) . . ?
C21 Fe1 C19 169.36(15) . . ?
C16 Fe1 C19 68.91(14) . . ?
C17 Fe1 C19 68.54(15) . . ?
C22 Fe1 C19 130.21(15) . . ?
C25 Fe1 C19 148.29(15) . . ?
C20 Fe1 C19 40.54(15) . . ?
C23 Fe1 C19 108.59(15) . . ?
C18 Fe1 C19 40.18(15) . . ?
C24 Fe1 C19 116.09(15) . . ?
Si1 N1 Si2 126.72(17) . . ?
Si1 N1 La1 110.84(14) . . ?
Si2 N1 La1 122.40(14) . . ?
C1 O1 La1 144.2(2) . . ?
C28 O2 La1 149.8(2) . . ?
C16 S1 C15 101.27(16) . . ?
C16 S1 La1 120.74(11) . . ?
C15 S1 La1 94.52(11) . . ?
C21 S2 C26 103.29(16) . . ?
C21 S2 La1 122.29(12) . . ?
C26 S2 La1 101.24(12) . . ?
N1 Si1 C43 114.01(17) . . ?
N1 Si1 C42 113.09(16) . . ?
C43 Si1 C42 109.18(18) . . ?
N1 Si1 C41 106.79(15) . . ?
C43 Si1 C41 106.70(17) . . ?
C42 Si1 C41 106.57(18) . . ?
C43 Si1 La1 134.45(13) . . ?
C42 Si1 La1 115.90(13) . . ?
N1 Si2 C44 113.68(17) . . ?
N1 Si2 C46 109.49(16) . . ?
C44 Si2 C46 108.3(2) . . ?
N1 Si2 C45 112.17(17) . . ?
C44 Si2 C45 105.76(19) . . ?
C46 Si2 C45 107.16(19) . . ?
O1 C1 C2 119.1(3) . . ?
O1 C1 C6 122.2(3) . . ?
C2 C1 C6 118.7(3) . . ?
C3 C2 C1 121.1(3) . . ?
C3 C2 C15 119.6(3) . . ?
C1 C2 C15 119.3(3) . . ?
C2 C3 C4 121.9(3) . . ?
C2 C3 H3 119.0 . . ?
C4 C3 H3 119.0 . . ?
C3 C4 C5 116.0(3) . . ?
C3 C4 C7 122.7(3) . . ?
C5 C4 C7 121.2(3) . . ?
C6 C5 C4 124.5(3) . . ?
C6 C5 H5 117.8 . . ?
C4 C5 H5 117.8 . . ?
C5 C6 C1 117.6(3) . . ?
C5 C6 C11 121.7(3) . . ?
C1 C6 C11 120.7(3) . . ?
C9 C7 C8 108.9(4) . . ?
C9 C7 C4 111.1(3) . . ?
C8 C7 C4 109.0(3) . . ?
C9 C7 C10 108.0(4) . . ?
C8 C7 C10 108.9(3) . . ?
C4 C7 C10 110.9(3) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C6 110.8(3) . . ?
C12 C11 C14 111.0(3) . . ?
C6 C11 C14 109.4(3) . . ?
C12 C11 C13 107.7(3) . . ?
C6 C11 C13 111.4(3) . . ?
C14 C11 C13 106.6(3) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C2 C15 S1 113.3(2) . . ?
C2 C15 H15A 108.9 . . ?
S1 C15 H15A 108.9 . . ?
C2 C15 H15B 108.9 . . ?
S1 C15 H15B 108.9 . . ?
H15A C15 H15B 107.7 . . ?
C20 C16 C17 107.6(3) . . ?
C20 C16 S1 125.0(3) . . ?
C17 C16 S1 127.4(3) . . ?
C20 C16 Fe1 70.3(2) . . ?
C17 C16 Fe1 69.73(19) . . ?
S1 C16 Fe1 125.18(18) . . ?
C18 C17 C16 107.6(3) . . ?
C18 C17 Fe1 70.6(2) . . ?
C16 C17 Fe1 68.82(19) . . ?
C18 C17 H17 126.2 . . ?
C16 C17 H17 126.2 . . ?
Fe1 C17 H17 126.0 . . ?
C19 C18 C17 108.6(3) . . ?
C19 C18 Fe1 69.9(2) . . ?
C17 C18 Fe1 68.7(2) . . ?
C19 C18 H18 125.7 . . ?
C17 C18 H18 125.7 . . ?
Fe1 C18 H18 127.2 . . ?
C18 C19 C20 108.2(3) . . ?
C18 C19 Fe1 69.9(2) . . ?
C20 C19 Fe1 69.2(2) . . ?
C18 C19 H19 125.9 . . ?
C20 C19 H19 125.9 . . ?
Fe1 C19 H19 126.6 . . ?
C19 C20 C16 108.0(3) . . ?
C19 C20 Fe1 70.2(2) . . ?
C16 C20 Fe1 68.51(19) . . ?
C19 C20 H20 126.0 . . ?
C16 C20 H20 126.0 . . ?
Fe1 C20 H20 126.8 . . ?
C22 C21 C25 108.4(3) . . ?
C22 C21 S2 124.3(3) . . ?
C25 C21 S2 127.1(3) . . ?
C22 C21 Fe1 70.5(2) . . ?
C25 C21 Fe1 70.47(19) . . ?
S2 C21 Fe1 120.72(19) . . ?
C23 C22 C21 107.4(3) . . ?
C23 C22 Fe1 70.3(2) . . ?
C21 C22 Fe1 68.48(19) . . ?
C23 C22 H22 126.3 . . ?
C21 C22 H22 126.3 . . ?
Fe1 C22 H22 126.5 . . ?
C22 C23 C24 108.8(3) . . ?
C22 C23 Fe1 69.2(2) . . ?
C24 C23 Fe1 70.0(2) . . ?
C22 C23 H23 125.6 . . ?
C24 C23 H23 125.6 . . ?
Fe1 C23 H23 126.8 . . ?
C23 C24 C25 107.9(3) . . ?
C23 C24 Fe1 69.7(2) . . ?
C25 C24 Fe1 69.2(2) . . ?
C23 C24 H24 126.0 . . ?
C25 C24 H24 126.0 . . ?
Fe1 C24 H24 126.7 . . ?
C24 C25 C21 107.4(3) . . ?
C24 C25 Fe1 70.2(2) . . ?
C21 C25 Fe1 68.3(2) . . ?
C24 C25 H25 126.3 . . ?
C21 C25 H25 126.3 . . ?
Fe1 C25 H25 126.8 . . ?
C27 C26 S2 110.3(2) . . ?
C27 C26 H26A 109.6 . . ?
S2 C26 H26A 109.6 . . ?
C27 C26 H26B 109.6 . . ?
S2 C26 H26B 109.6 . . ?
H26A C26 H26B 108.1 . . ?
C32 C27 C28 120.5(3) . . ?
C32 C27 C26 119.4(3) . . ?
C28 C27 C26 120.1(3) . . ?
O2 C28 C27 118.1(3) . . ?
O2 C28 C29 122.6(3) . . ?
C27 C28 C29 119.2(3) . . ?
C30 C29 C28 117.9(3) . . ?
C30 C29 C37 121.2(3) . . ?
C28 C29 C37 120.8(3) . . ?
C29 C30 C31 123.5(3) . . ?
C29 C30 H30 118.3 . . ?
C31 C30 H30 118.3 . . ?
C32 C31 C30 117.3(3) . . ?
C32 C31 C33 119.5(3) . . ?
C30 C31 C33 123.1(3) . . ?
C31 C32 C27 121.2(3) . . ?
C31 C32 H32 119.4 . . ?
C27 C32 H32 119.4 . . ?
C34 C33 C35 108.9(3) . . ?
C34 C33 C36 108.3(3) . . ?
C35 C33 C36 108.7(3) . . ?
C34 C33 C31 108.3(3) . . ?
C35 C33 C31 111.1(3) . . ?
C36 C33 C31 111.6(3) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C40 C37 C38 110.0(3) . . ?
C40 C37 C39 106.5(3) . . ?
C38 C37 C39 106.6(3) . . ?
C40 C37 C29 110.7(3) . . ?
C38 C37 C29 110.5(3) . . ?
C39 C37 C29 112.5(3) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si1 C41 H41A 109.5 . . ?
Si1 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si1 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si1 C42 H42A 109.5 . . ?
Si1 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si1 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si1 C43 H43A 109.5 . . ?
Si1 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si1 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si2 C44 H44A 109.5 . . ?
Si2 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si2 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
Si2 C45 H45A 109.5 . . ?
Si2 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
Si2 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Si2 C46 H46A 109.5 . . ?
Si2 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
Si2 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C48 C47 H47A 109.5 . . ?
C48 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C48 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C47 C48 C49 116.1(5) . . ?
C47 C48 H48A 108.3 . . ?
C49 C48 H48A 108.3 . . ?
C47 C48 H48B 108.3 . . ?
C49 C48 H48B 108.3 . . ?
H48A C48 H48B 107.4 . . ?
C50 C49 C48 113.6(5) . . ?
C50 C49 H49A 108.8 . . ?
C48 C49 H49A 108.8 . . ?
C50 C49 H49B 108.8 . . ?
C48 C49 H49B 108.8 . . ?
H49A C49 H49B 107.7 . . ?
C49 C50 C51 114.2(4) . . ?
C49 C50 H50A 108.7 . . ?
C51 C50 H50A 108.7 . . ?
C49 C50 H50B 108.7 . . ?
C51 C50 H50B 108.7 . . ?
H50A C50 H50B 107.6 . . ?
C52 C51 C50 111.1(4) . . ?
C52 C51 H51A 109.4 . . ?
C50 C51 H51A 109.4 . . ?
C52 C51 H51B 109.4 . . ?
C50 C51 H51B 109.4 . . ?
H51A C51 H51B 108.0 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?

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
Si2 N1 Si1 C43 51.3(3) . . . . ?
La1 N1 Si1 C43 -130.98(16) . . . . ?
Si2 N1 Si1 C42 -74.3(3) . . . . ?
La1 N1 Si1 C42 103.51(18) . . . . ?
Si2 N1 Si1 C41 168.8(2) . . . . ?
La1 N1 Si1 C41 -13.39(19) . . . . ?
Si2 N1 Si1 La1 -177.8(3) . . . . ?
Si1 N1 Si2 C44 34.2(3) . . . . ?
La1 N1 Si2 C44 -143.32(19) . . . . ?
Si1 N1 Si2 C46 155.4(2) . . . . ?
La1 N1 Si2 C46 -22.1(2) . . . . ?
Si1 N1 Si2 C45 -85.7(2) . . . . ?
La1 N1 Si2 C45 96.7(2) . . . . ?
La1 O1 C1 C2 61.1(5) . . . . ?
La1 O1 C1 C6 -116.8(4) . . . . ?
O1 C1 C2 C3 -176.3(3) . . . . ?
C6 C1 C2 C3 1.7(5) . . . . ?
O1 C1 C2 C15 1.7(5) . . . . ?
C6 C1 C2 C15 179.7(3) . . . . ?
C1 C2 C3 C4 -1.5(5) . . . . ?
C15 C2 C3 C4 -179.6(3) . . . . ?
C2 C3 C4 C5 -0.4(5) . . . . ?
C2 C3 C4 C7 -177.6(3) . . . . ?
C3 C4 C5 C6 2.2(5) . . . . ?
C7 C4 C5 C6 179.5(3) . . . . ?
C4 C5 C6 C1 -2.1(5) . . . . ?
C4 C5 C6 C11 177.1(3) . . . . ?
O1 C1 C6 C5 178.0(3) . . . . ?
C2 C1 C6 C5 0.1(5) . . . . ?
O1 C1 C6 C11 -1.2(5) . . . . ?
C2 C1 C6 C11 -179.1(3) . . . . ?
C3 C4 C7 C9 -145.6(4) . . . . ?
C5 C4 C7 C9 37.4(5) . . . . ?
C3 C4 C7 C8 94.4(4) . . . . ?
C5 C4 C7 C8 -82.6(4) . . . . ?
C3 C4 C7 C10 -25.4(5) . . . . ?
C5 C4 C7 C10 157.5(3) . . . . ?
C5 C6 C11 C12 120.5(4) . . . . ?
C1 C6 C11 C12 -60.4(4) . . . . ?
C5 C6 C11 C14 -116.8(4) . . . . ?
C1 C6 C11 C14 62.3(4) . . . . ?
C5 C6 C11 C13 0.7(5) . . . . ?
C1 C6 C11 C13 179.8(3) . . . . ?
C3 C2 C15 S1 106.6(3) . . . . ?
C1 C2 C15 S1 -71.4(3) . . . . ?
C16 S1 C15 C2 -50.2(3) . . . . ?
La1 S1 C15 C2 72.4(2) . . . . ?
C15 S1 C16 C20 -112.8(3) . . . . ?
La1 S1 C16 C20 144.9(3) . . . . ?
C15 S1 C16 C17 67.4(3) . . . . ?
La1 S1 C16 C17 -34.8(4) . . . . ?
C15 S1 C16 Fe1 157.8(2) . . . . ?
La1 S1 C16 Fe1 55.5(2) . . . . ?
C20 C16 C17 C18 -0.2(4) . . . . ?
S1 C16 C17 C18 179.6(3) . . . . ?
Fe1 C16 C17 C18 60.2(2) . . . . ?
C20 C16 C17 Fe1 -60.4(2) . . . . ?
S1 C16 C17 Fe1 119.4(3) . . . . ?
C16 C17 C18 C19 -0.4(4) . . . . ?
Fe1 C17 C18 C19 58.7(3) . . . . ?
C16 C17 C18 Fe1 -59.1(2) . . . . ?
C17 C18 C19 C20 0.8(4) . . . . ?
Fe1 C18 C19 C20 58.8(3) . . . . ?
C17 C18 C19 Fe1 -58.0(2) . . . . ?
C18 C19 C20 C16 -1.0(4) . . . . ?
Fe1 C19 C20 C16 58.2(2) . . . . ?
C18 C19 C20 Fe1 -59.2(3) . . . . ?
C17 C16 C20 C19 0.7(4) . . . . ?
S1 C16 C20 C19 -179.1(3) . . . . ?
Fe1 C16 C20 C19 -59.3(3) . . . . ?
C17 C16 C20 Fe1 60.0(2) . . . . ?
S1 C16 C20 Fe1 -119.7(3) . . . . ?
C26 S2 C21 C22 -99.8(3) . . . . ?
La1 S2 C21 C22 147.5(3) . . . . ?
C26 S2 C21 C25 86.1(3) . . . . ?
La1 S2 C21 C25 -26.6(4) . . . . ?
C26 S2 C21 Fe1 173.95(19) . . . . ?
La1 S2 C21 Fe1 61.2(2) . . . . ?
C25 C21 C22 C23 0.8(4) . . . . ?
S2 C21 C22 C23 -174.2(3) . . . . ?
Fe1 C21 C22 C23 -59.7(2) . . . . ?
C25 C21 C22 Fe1 60.5(2) . . . . ?
S2 C21 C22 Fe1 -114.5(3) . . . . ?
C21 C22 C23 C24 -0.3(4) . . . . ?
Fe1 C22 C23 C24 -58.9(3) . . . . ?
C21 C22 C23 Fe1 58.6(2) . . . . ?
C22 C23 C24 C25 -0.3(4) . . . . ?
Fe1 C23 C24 C25 -58.8(2) . . . . ?
C22 C23 C24 Fe1 58.5(3) . . . . ?
C23 C24 C25 C21 0.8(4) . . . . ?
Fe1 C24 C25 C21 -58.3(2) . . . . ?
C23 C24 C25 Fe1 59.1(3) . . . . ?
C22 C21 C25 C24 -1.0(4) . . . . ?
S2 C21 C25 C24 173.8(3) . . . . ?
Fe1 C21 C25 C24 59.5(2) . . . . ?
C22 C21 C25 Fe1 -60.5(2) . . . . ?
S2 C21 C25 Fe1 114.3(3) . . . . ?
C21 S2 C26 C27 163.3(2) . . . . ?
La1 S2 C26 C27 -69.4(2) . . . . ?
S2 C26 C27 C32 -113.3(3) . . . . ?
S2 C26 C27 C28 66.1(4) . . . . ?
La1 O2 C28 C27 -64.3(6) . . . . ?
La1 O2 C28 C29 115.8(4) . . . . ?
C32 C27 C28 O2 174.3(3) . . . . ?
C26 C27 C28 O2 -5.0(5) . . . . ?
C32 C27 C28 C29 -5.9(5) . . . . ?
C26 C27 C28 C29 174.8(3) . . . . ?
O2 C28 C29 C30 -175.3(3) . . . . ?
C27 C28 C29 C30 4.8(5) . . . . ?
O2 C28 C29 C37 4.4(5) . . . . ?
C27 C28 C29 C37 -175.5(3) . . . . ?
C28 C29 C30 C31 -0.6(5) . . . . ?
C37 C29 C30 C31 179.7(3) . . . . ?
C29 C30 C31 C32 -2.7(5) . . . . ?
C29 C30 C31 C33 174.4(3) . . . . ?
C30 C31 C32 C27 1.7(5) . . . . ?
C33 C31 C32 C27 -175.6(3) . . . . ?
C28 C27 C32 C31 2.6(5) . . . . ?
C26 C27 C32 C31 -178.1(3) . . . . ?
C32 C31 C33 C34 65.0(4) . . . . ?
C30 C31 C33 C34 -112.0(4) . . . . ?
C32 C31 C33 C35 -54.5(5) . . . . ?
C30 C31 C33 C35 128.4(4) . . . . ?
C32 C31 C33 C36 -176.0(3) . . . . ?
C30 C31 C33 C36 7.0(5) . . . . ?
C30 C29 C37 C40 113.8(4) . . . . ?
C28 C29 C37 C40 -65.9(4) . . . . ?
C30 C29 C37 C38 -124.1(3) . . . . ?
C28 C29 C37 C38 56.2(4) . . . . ?
C30 C29 C37 C39 -5.2(5) . . . . ?
C28 C29 C37 C39 175.1(3) . . . . ?
C47 C48 C49 C50 -65.4(7) . . . . ?
C48 C49 C50 C51 -179.6(4) . . . . ?
C49 C50 C51 C52 177.0(4) . . . . ?

_refine_diff_density_max         0.952
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.097

_shelxl_version_number           2013-4


#==END
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane'
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
