# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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. 
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data_2
_database_code_depnum_ccdc_archive 'CCDC 1838930'
_audit_update_record             
;
2018-06-06 deposited with the CCDC.
2018-06-27 downloaded from the CCDC.
;
_audit_creation_date             2017-12-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H45 La N4 Si'
_chemical_formula_sum            'C33 H45 La N4 Si'
_chemical_formula_weight         664.73
_chemical_melting_point          ?
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'
N N 0.0061 0.0033 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   15.299(3)
_cell_length_b                   13.692(3)
_cell_length_c                   15.535(3)
_cell_angle_alpha                90
_cell_angle_beta                 97.27(3)
_cell_angle_gamma                90
_cell_volume                     3228.0(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    24545
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.475
_cell_measurement_theta_min      3.035
_shelx_estimated_absorpt_T_max   0.628
_shelx_estimated_absorpt_T_min   0.516
_exptl_absorpt_coefficient_mu    1.387
_exptl_absorpt_correction_T_max  0.7445
_exptl_absorpt_correction_T_min  0.3992
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.37
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27991
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.034
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5791
_reflns_number_total             6595
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.507
_refine_diff_density_min         -0.376
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     348
_refine_ls_number_reflns         6595
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0247
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0279P)²+1.3187P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.0638
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C19(H19), C20(H20)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C10(H10A,H10B), C25(H25A,H25B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C12(H12), C13(H13), C14(H14), C15(H15),
 C33(H33), C29(H29), C30(H30), C31(H31), C32(H32)
2.d Fitted hexagon refined as free rotating group:
 C33(C28,C29,C30,C31,C32)
2.e Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C),
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C27(H27A,H27B,
 H27C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
C1 C 0.34735(18) 0.8058(2) 0.28529(17) 0.0568(6) Uani 1 1 d . . . . .
H1A H 0.3509 0.8436 0.3384 0.068 Uiso 1 1 calc R . . . .
H1B H 0.3214 0.7421 0.2924 0.068 Uiso 1 1 calc R . . . .
C2 C 0.42812(16) 0.80283(18) 0.24695(17) 0.0524(6) Uani 1 1 d . . . . .
C3 C 0.5025(2) 0.8620(2) 0.2783(2) 0.0723(8) Uani 1 1 d . . . . .
H3 H 0.4997 0.9005 0.3272 0.087 Uiso 1 1 calc R . . . .
C4 C 0.5771(2) 0.8637(2) 0.2391(3) 0.0875(12) Uani 1 1 d . . . . .
H4 H 0.6238 0.9034 0.2617 0.105 Uiso 1 1 calc R . . . .
C5 C 0.5847(2) 0.8082(3) 0.1670(3) 0.0871(11) Uani 1 1 d . . . . .
H5 H 0.6370 0.8079 0.1422 0.105 Uiso 1 1 calc R . . . .
C6 C 0.51382(18) 0.7525(2) 0.1316(2) 0.0679(8) Uani 1 1 d . . . . .
H6 H 0.5184 0.7150 0.0825 0.081 Uiso 1 1 calc R . . . .
C7 C 0.43539(16) 0.75179(18) 0.16894(18) 0.0514(6) Uani 1 1 d . . . . .
C8 C 0.3567(2) 0.6778(2) 0.0379(2) 0.0741(8) Uani 1 1 d . . . . .
H8A H 0.3737 0.7344 0.0076 0.111 Uiso 1 1 calc GR . . . .
H8B H 0.2983 0.6582 0.0142 0.111 Uiso 1 1 calc GR . . . .
H8C H 0.3972 0.6255 0.0316 0.111 Uiso 1 1 calc GR . . . .
C9 C 0.3411(2) 0.6106(2) 0.1762(2) 0.0725(9) Uani 1 1 d . . . . .
H9A H 0.3792 0.5598 0.1601 0.109 Uiso 1 1 calc GR . . . .
H9B H 0.2808 0.5913 0.1609 0.109 Uiso 1 1 calc GR . . . .
H9C H 0.3524 0.6215 0.2376 0.109 Uiso 1 1 calc GR . . . .
C10 C 0.15602(16) 0.82284(18) 0.03839(15) 0.0478(5) Uani 1 1 d . . . . .
H10A H 0.1083 0.8687 0.0229 0.057 Uiso 1 1 calc R . . . .
H10B H 0.1793 0.8025 -0.0140 0.057 Uiso 1 1 calc R . . . .
C11 C 0.12555(14) 0.73850(18) 0.08416(15) 0.0439(5) Uani 1 1 d . . . . .
C12 C 0.11583(17) 0.6456(2) 0.04638(17) 0.0548(6) Uani 1 1 d . . . . .
H12 H 0.1236 0.6391 -0.0118 0.066 Uiso 1 1 calc R . . . .
C13 C 0.09531(19) 0.5630(2) 0.0909(2) 0.0641(7) Uani 1 1 d . . . . .
H13 H 0.0891 0.5029 0.0629 0.077 Uiso 1 1 calc R . . . .
C14 C 0.0841(2) 0.5709(2) 0.1775(2) 0.0690(8) Uani 1 1 d . . . . .
H14 H 0.0715 0.5158 0.2087 0.083 Uiso 1 1 calc R . . . .
C15 C 0.09176(17) 0.6606(2) 0.21726(18) 0.0582(7) Uani 1 1 d . . . . .
H15 H 0.0834 0.6658 0.2753 0.070 Uiso 1 1 calc R . . . .
C16 C 0.11179(14) 0.74380(18) 0.17228(15) 0.0454(5) Uani 1 1 d . . . . .
C17 C 0.1341(2) 0.8370(2) 0.30870(17) 0.0662(8) Uani 1 1 d . . . . .
H17A H 0.0810 0.8143 0.3291 0.099 Uiso 1 1 calc GR . . . .
H17B H 0.1476 0.9015 0.3307 0.099 Uiso 1 1 calc GR . . . .
H17C H 0.1818 0.7938 0.3285 0.099 Uiso 1 1 calc GR . . . .
C18 C 0.04344(18) 0.9003(2) 0.1848(2) 0.0652(8) Uani 1 1 d . . . . .
H18A H 0.0321 0.9001 0.1226 0.098 Uiso 1 1 calc GR . . . .
H18B H 0.0542 0.9660 0.2050 0.098 Uiso 1 1 calc GR . . . .
H18C H -0.0067 0.8744 0.2085 0.098 Uiso 1 1 calc GR . . . .
C19 C 0.41385(17) 0.9637(2) 0.04137(19) 0.0575(7) Uani 1 1 d . . . . .
H19 H 0.4743 0.9384 0.0487 0.069 Uiso 1 1 calc R . . . .
C20 C 0.3488(2) 0.9353(2) -0.02633(19) 0.0617(7) Uani 1 1 d . . . . .
H20 H 0.3566 0.8840 -0.0688 0.074 Uiso 1 1 calc R . . . .
C21 C 0.28806(18) 1.0079(2) -0.03894(17) 0.0570(6) Uani 1 1 d . . . . .
C22 C 0.39109(15) 1.05434(19) 0.06937(17) 0.0492(6) Uani 1 1 d . . . . .
C23 C 0.2089(2) 1.0158(3) -0.1060(2) 0.0911(11) Uani 1 1 d . . . . .
H23A H 0.2067 0.9603 -0.1439 0.137 Uiso 1 1 calc GR . . . .
H23B H 0.2129 1.0744 -0.1391 0.137 Uiso 1 1 calc GR . . . .
H23C H 0.1566 1.0177 -0.0779 0.137 Uiso 1 1 calc GR . . . .
C24 C 0.4409(2) 1.1205(3) 0.1337(2) 0.0729(9) Uani 1 1 d . . . . .
H24A H 0.4868 1.0844 0.1676 0.109 Uiso 1 1 calc GR . . . .
H24B H 0.4017 1.1472 0.1712 0.109 Uiso 1 1 calc GR . . . .
H24C H 0.4664 1.1726 0.1039 0.109 Uiso 1 1 calc GR . . . .
C25 C 0.2646(2) 1.1698(2) 0.0328(2) 0.0639(7) Uani 1 1 d . . . . .
H25A H 0.2309 1.1884 -0.0218 0.077 Uiso 1 1 calc R . . . .
H25B H 0.3062 1.2219 0.0499 0.077 Uiso 1 1 calc R . . . .
C26 C 0.0736(2) 1.1326(3) 0.0619(3) 0.0852(10) Uani 1 1 d . . . . .
H26A H 0.0570 1.1840 0.0210 0.128 Uiso 1 1 calc GR . . . .
H26B H 0.0325 1.1299 0.1037 0.128 Uiso 1 1 calc GR . . . .
H26C H 0.0734 1.0714 0.0318 0.128 Uiso 1 1 calc GR . . . .
C27 C 0.1830(2) 1.2789(2) 0.1727(2) 0.0789(9) Uani 1 1 d . . . . .
H27A H 0.2385 1.2911 0.2072 0.118 Uiso 1 1 calc GR . . . .
H27B H 0.1369 1.2793 0.2092 0.118 Uiso 1 1 calc GR . . . .
H27C H 0.1720 1.3289 0.1293 0.118 Uiso 1 1 calc GR . . . .
C33 C 0.31592(10) 1.04952(14) 0.32530(12) 0.0594(7) Uani 1 1 d . . . . .
H33 H 0.3637 1.0310 0.2976 0.071 Uiso 1 1 calc R . . . .
C28 C 0.23639(11) 1.07409(13) 0.27664(9) 0.0497(6) Uani 1 1 d G . . . .
C29 C 0.16491(11) 1.10180(13) 0.31806(14) 0.0667(8) Uani 1 1 d G . . . .
H29 H 0.1117 1.1182 0.2855 0.080 Uiso 1 1 calc R . . . .
C30 C 0.17295(16) 1.10494(15) 0.40815(14) 0.0871(12) Uani 1 1 d G . . . .
H30 H 0.1251 1.1235 0.4359 0.104 Uiso 1 1 calc R . . . .
C31 C 0.2525(2) 1.08037(16) 0.45681(9) 0.0982(14) Uani 1 1 d G . . . .
H31 H 0.2579 1.0825 0.5171 0.118 Uiso 1 1 calc R . . . .
C32 C 0.32396(15) 1.05266(16) 0.41539(12) 0.0820(10) Uani 1 1 d G . . . .
H32 H 0.3772 1.0362 0.4480 0.098 Uiso 1 1 calc R . . . .
La1 La 0.27776(2) 0.90035(2) 0.14676(2) 0.03656(5) Uani 1 1 d . . . . .
N1 N 0.35796(14) 0.70111(15) 0.13003(14) 0.0526(5) Uani 1 1 d . . . . .
N2 N 0.12160(13) 0.83940(15) 0.21301(13) 0.0477(5) Uani 1 1 d . . . . .
N3 N 0.31337(14) 1.08031(15) 0.01995(14) 0.0490(5) Uani 1 1 d . . . . .
N4 N 0.22931(12) 1.06467(15) 0.18461(13) 0.0464(4) Uani 1 1 d . . . . .
Si1 Si 0.18636(4) 1.15711(5) 0.11862(5) 0.05225(17) Uani 1 1 d . . . . .


_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
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.439(4) . ?
C1 La1 2.620(3) . ?
C2 C3 1.431(4) . ?
C2 C7 1.415(4) . ?
C2 La1 2.931(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.360(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.371(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.382(4) . ?
C6 H6 0.9300 . ?
C6 C7 1.397(4) . ?
C7 N1 1.438(3) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 N1 1.464(4) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 N1 1.471(3) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.463(3) . ?
C10 La1 2.576(2) . ?
C11 C12 1.401(4) . ?
C11 C16 1.413(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.382(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.382(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.373(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.391(3) . ?
C16 N2 1.453(3) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17 N2 1.475(3) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C18 N2 1.478(3) . ?
C19 H19 0.9800 . ?
C19 C20 1.408(4) . ?
C19 C22 1.375(4) . ?
C19 La1 2.938(2) . ?
C20 H20 0.9800 . ?
C20 C21 1.359(4) . ?
C20 La1 3.063(3) . ?
C21 C23 1.497(4) . ?
C21 N3 1.372(3) . ?
C22 C24 1.485(4) . ?
C22 La1 3.070(2) . ?
C22 N3 1.378(3) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 N3 1.462(3) . ?
C25 Si1 1.908(3) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C26 Si1 1.865(3) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C27 Si1 1.871(3) . ?
C33 H33 0.9300 . ?
C33 C28 1.3900 . ?
C33 C32 1.3900 . ?
C28 C29 1.3900 . ?
C28 N4 1.426(2) . ?
C29 H29 0.9300 . ?
C29 C30 1.3900 . ?
C30 H30 0.9300 . ?
C30 C31 1.3900 . ?
C31 H31 0.9300 . ?
C31 C32 1.3900 . ?
C32 H32 0.9300 . ?
La1 N1 3.016(2) . ?
La1 N2 2.8436(19) . ?
La1 N4 2.463(2) . ?
N4 Si1 1.707(2) . ?

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
H1A C1 H1B 111.3 . . ?
C2 C1 H1A 114.1 . . ?
C2 C1 H1B 114.1 . . ?
C2 C1 La1 87.40(15) . . ?
La1 C1 H1A 114.1 . . ?
La1 C1 H1B 114.1 . . ?
C1 C2 La1 63.24(13) . . ?
C3 C2 C1 122.1(3) . . ?
C3 C2 La1 117.38(18) . . ?
C7 C2 C1 122.2(2) . . ?
C7 C2 C3 115.2(3) . . ?
C7 C2 La1 84.93(14) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 C2 122.3(3) . . ?
C4 C3 H3 118.8 . . ?
C3 C4 H4 119.4 . . ?
C3 C4 C5 121.2(3) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 H5 120.4 . . ?
C4 C5 C6 119.2(3) . . ?
C6 C5 H5 120.4 . . ?
C5 C6 H6 119.6 . . ?
C5 C6 C7 120.7(3) . . ?
C7 C6 H6 119.6 . . ?
C2 C7 N1 116.6(2) . . ?
C6 C7 C2 121.1(3) . . ?
C6 C7 N1 122.3(3) . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H10A C10 H10B 108.9 . . ?
C11 C10 H10A 110.8 . . ?
C11 C10 H10B 110.8 . . ?
C11 C10 La1 104.84(15) . . ?
La1 C10 H10A 110.8 . . ?
La1 C10 H10B 110.8 . . ?
C12 C11 C10 122.5(2) . . ?
C12 C11 C16 115.6(2) . . ?
C16 C11 C10 121.7(2) . . ?
C11 C12 H12 118.2 . . ?
C13 C12 C11 123.5(2) . . ?
C13 C12 H12 118.2 . . ?
C12 C13 H13 120.4 . . ?
C12 C13 C14 119.2(3) . . ?
C14 C13 H13 120.4 . . ?
C13 C14 H14 120.2 . . ?
C15 C14 C13 119.6(3) . . ?
C15 C14 H14 120.2 . . ?
C14 C15 H15 119.4 . . ?
C14 C15 C16 121.2(3) . . ?
C16 C15 H15 119.4 . . ?
C11 C16 N2 116.6(2) . . ?
C15 C16 C11 120.9(2) . . ?
C15 C16 N2 122.4(2) . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
C20 C19 H19 123.7 . . ?
C20 C19 La1 81.45(14) . . ?
C22 C19 H19 123.7 . . ?
C22 C19 C20 107.6(2) . . ?
C22 C19 La1 82.21(13) . . ?
La1 C19 H19 123.7 . . ?
C19 C20 H20 124.5 . . ?
C19 C20 La1 71.52(14) . . ?
C21 C20 C19 108.1(3) . . ?
C21 C20 H20 124.5 . . ?
C21 C20 La1 85.87(15) . . ?
La1 C20 H20 124.5 . . ?
C20 C21 C23 129.2(3) . . ?
C20 C21 N3 107.6(3) . . ?
N3 C21 C23 123.1(3) . . ?
C19 C22 C24 129.4(3) . . ?
C19 C22 La1 71.45(13) . . ?
C19 C22 N3 107.0(2) . . ?
C24 C22 La1 114.98(17) . . ?
N3 C22 C24 123.4(2) . . ?
N3 C22 La1 84.55(13) . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
H25A C25 H25B 107.7 . . ?
N3 C25 H25A 108.9 . . ?
N3 C25 H25B 108.9 . . ?
N3 C25 Si1 113.28(18) . . ?
Si1 C25 H25A 108.9 . . ?
Si1 C25 H25B 108.9 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C27 H27A 109.5 . . ?
Si1 C27 H27B 109.5 . . ?
Si1 C27 H27C 109.5 . . ?
C28 C33 H33 120.0 . . ?
C28 C33 C32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C28 N4 118.27(14) . . ?
C29 C28 C33 120.0 . . ?
C29 C28 N4 121.64(14) . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.0 . . ?
C32 C31 H31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C31 C32 C33 120.0 . . ?
C31 C32 H32 120.0 . . ?
C1 La1 C2 29.36(8) . . ?
C1 La1 C19 111.15(8) . . ?
C1 La1 C20 130.23(8) . . ?
C1 La1 C22 118.05(8) . . ?
C1 La1 N1 59.75(7) . . ?
C1 La1 N2 80.23(8) . . ?
C2 La1 C19 82.33(8) . . ?
C2 La1 C20 101.26(8) . . ?
C2 La1 C22 94.40(7) . . ?
C2 La1 N1 48.18(7) . . ?
C10 La1 C1 121.22(9) . . ?
C10 La1 C2 127.83(8) . . ?
C10 La1 C19 105.20(8) . . ?
C10 La1 C20 78.36(8) . . ?
C10 La1 C22 115.12(7) . . ?
C10 La1 N1 80.76(7) . . ?
C10 La1 N2 62.91(7) . . ?
C19 La1 C20 27.03(8) . . ?
C19 La1 C22 26.34(7) . . ?
C19 La1 N1 83.93(7) . . ?
C20 La1 C22 42.96(8) . . ?
N1 La1 C20 82.64(7) . . ?
N1 La1 C22 109.36(6) . . ?
N2 La1 C2 108.23(7) . . ?
N2 La1 C19 167.30(7) . . ?
N2 La1 C20 140.49(8) . . ?
N2 La1 C22 152.29(6) . . ?
N2 La1 N1 97.78(6) . . ?
N4 La1 C1 111.02(8) . . ?
N4 La1 C2 121.94(7) . . ?
N4 La1 C10 108.53(8) . . ?
N4 La1 C19 96.86(7) . . ?
N4 La1 C20 102.60(7) . . ?
N4 La1 C22 70.61(7) . . ?
N4 La1 N1 169.98(6) . . ?
N4 La1 N2 83.67(6) . . ?
C7 N1 C8 115.1(2) . . ?
C7 N1 C9 112.8(2) . . ?
C7 N1 La1 81.36(13) . . ?
C8 N1 C9 108.1(2) . . ?
C8 N1 La1 109.03(16) . . ?
C9 N1 La1 128.47(18) . . ?
C16 N2 C17 114.3(2) . . ?
C16 N2 C18 110.1(2) . . ?
C16 N2 La1 98.73(12) . . ?
C17 N2 C18 107.9(2) . . ?
C17 N2 La1 111.32(15) . . ?
C18 N2 La1 114.35(16) . . ?
C21 N3 C22 109.6(2) . . ?
C21 N3 C25 126.3(2) . . ?
C22 N3 C25 124.0(2) . . ?
C28 N4 La1 109.57(13) . . ?
C28 N4 Si1 120.64(15) . . ?
Si1 N4 La1 129.68(11) . . ?
C26 Si1 C25 108.09(16) . . ?
C26 Si1 C27 107.23(17) . . ?
C27 Si1 C25 106.68(14) . . ?
N4 Si1 C25 105.03(11) . . ?
N4 Si1 C26 114.40(14) . . ?
N4 Si1 C27 114.95(14) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 1839099'
_audit_update_record             
;
2018-06-06 deposited with the CCDC.
2018-06-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H44 Cl N4 Sc Si'
_chemical_formula_weight         605.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.2519 0.3716 '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(1)/n

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

_cell_length_a                   16.1691(11)
_cell_length_b                   10.7790(7)
_cell_length_c                   20.0763(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 109.761(2)
_cell_angle_gamma                90.00
_cell_volume                     3293.0(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    11815
_cell_measurement_theta_min      3.05
_cell_measurement_theta_max      27.47

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1288
_exptl_absorpt_coefficient_mu    0.368
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9300
_exptl_absorpt_correction_T_max  0.9468
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30187
_diffrn_reflns_av_R_equivalents  0.1578
_diffrn_reflns_av_sigmaI/netI    0.1569
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         27.47
_reflns_number_total             7468
_reflns_number_gt                2989
_reflns_threshold_expression     >2sigma(I)

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

_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)+(0.0592P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7468
_refine_ls_number_parameters     369
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1913
_refine_ls_R_factor_gt           0.0693
_refine_ls_wR_factor_ref         0.1670
_refine_ls_wR_factor_gt          0.1202
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_restrained_S_all      0.972
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sc1 Sc 0.44744(5) 0.97435(7) 0.21851(4) 0.0441(2) Uani 1 1 d . . .
N1 N 0.3169(2) 1.0143(3) 0.24246(16) 0.0485(9) Uani 1 1 d . . .
C8 C 0.2426(3) 1.0630(4) 0.1814(2) 0.0639(13) Uani 1 1 d . . .
H8A H 0.1935 1.0806 0.1965 0.096 Uiso 1 1 calc R . .
H8B H 0.2259 1.0021 0.1444 0.096 Uiso 1 1 calc R . .
H8C H 0.2607 1.1377 0.1642 0.096 Uiso 1 1 calc R . .
C9 C 0.2879(3) 0.8993(4) 0.2687(2) 0.0643(13) Uani 1 1 d . . .
H9A H 0.3331 0.8719 0.3110 0.096 Uiso 1 1 calc R . .
H9B H 0.2766 0.8359 0.2332 0.096 Uiso 1 1 calc R . .
H9C H 0.2351 0.9158 0.2791 0.096 Uiso 1 1 calc R . .
N2 N 0.5348(2) 0.9834(3) 0.14588(16) 0.0485(9) Uani 1 1 d . . .
C17 C 0.5157(3) 1.0949(4) 0.0997(2) 0.0634(13) Uani 1 1 d . . .
H17A H 0.5512 1.0933 0.0698 0.095 Uiso 1 1 calc R . .
H17B H 0.5289 1.1683 0.1285 0.095 Uiso 1 1 calc R . .
H17C H 0.4547 1.0952 0.0709 0.095 Uiso 1 1 calc R . .
C18 C 0.6285(3) 0.9875(4) 0.1909(2) 0.0644(13) Uani 1 1 d . . .
H18A H 0.6451 0.9093 0.2146 0.097 Uiso 1 1 calc R . .
H18B H 0.6373 1.0523 0.2254 0.097 Uiso 1 1 calc R . .
H18C H 0.6640 1.0034 0.1620 0.097 Uiso 1 1 calc R . .
C1 C 0.4403(3) 1.1807(4) 0.2264(2) 0.0555(12) Uani 1 1 d . . .
H1A H 0.4976 1.2187 0.2360 0.067 Uiso 1 1 calc R . .
H1B H 0.3993 1.2162 0.1836 0.067 Uiso 1 1 calc R . .
C2 C 0.3482(3) 1.1108(4) 0.2964(2) 0.0474(11) Uani 1 1 d . . .
C3 C 0.4087(3) 1.1951(4) 0.2869(2) 0.0496(11) Uani 1 1 d . . .
C4 C 0.4438(3) 1.2817(4) 0.3412(2) 0.0602(12) Uani 1 1 d . . .
H4 H 0.4860 1.3374 0.3376 0.072 Uiso 1 1 calc R . .
C5 C 0.4179(4) 1.2874(5) 0.4001(2) 0.0690(14) Uani 1 1 d . . .
H5 H 0.4424 1.3460 0.4352 0.083 Uiso 1 1 calc R . .
C6 C 0.3553(3) 1.2055(5) 0.4065(2) 0.0655(13) Uani 1 1 d . . .
H6 H 0.3367 1.2099 0.4455 0.079 Uiso 1 1 calc R . .
C7 C 0.3205(3) 1.1175(4) 0.3551(2) 0.0578(12) Uani 1 1 d . . .
H7 H 0.2785 1.0622 0.3595 0.069 Uiso 1 1 calc R . .
C10 C 0.3653(3) 0.8975(4) 0.1135(2) 0.0593(12) Uani 1 1 d . . .
H10A H 0.3217 0.8406 0.1192 0.071 Uiso 1 1 calc R . .
H10B H 0.3350 0.9641 0.0822 0.071 Uiso 1 1 calc R . .
C11 C 0.5120(3) 0.8720(4) 0.10154(19) 0.0485(11) Uani 1 1 d . . .
C12 C 0.4253(3) 0.8317(4) 0.0835(2) 0.0517(11) Uani 1 1 d . . .
C13 C 0.4027(3) 0.7249(4) 0.0422(2) 0.0629(13) Uani 1 1 d . . .
H13 H 0.3460 0.6936 0.0305 0.075 Uiso 1 1 calc R . .
C14 C 0.4627(4) 0.6642(5) 0.0182(2) 0.0727(15) Uani 1 1 d . . .
H14 H 0.4459 0.5933 -0.0096 0.087 Uiso 1 1 calc R . .
C15 C 0.5461(4) 0.7081(5) 0.0352(2) 0.0672(14) Uani 1 1 d . . .
H15 H 0.5857 0.6679 0.0180 0.081 Uiso 1 1 calc R . .
C16 C 0.5730(3) 0.8122(4) 0.0778(2) 0.0568(12) Uani 1 1 d . . .
H16 H 0.6304 0.8412 0.0902 0.068 Uiso 1 1 calc R . .
C19 C 0.5811(3) 0.9360(4) 0.36333(18) 0.0430(10) Uani 1 1 d . . .
C20 C 0.6707(3) 0.9446(4) 0.3779(2) 0.0535(12) Uani 1 1 d . . .
H20 H 0.6953 0.9061 0.3475 0.064 Uiso 1 1 calc R . .
C21 C 0.7256(3) 1.0088(4) 0.4362(2) 0.0591(12) Uani 1 1 d . . .
H21 H 0.7859 1.0119 0.4449 0.071 Uiso 1 1 calc R . .
C22 C 0.6900(4) 1.0675(4) 0.4808(2) 0.0583(13) Uani 1 1 d . . .
C23 C 0.6017(4) 1.0621(4) 0.4676(2) 0.0637(14) Uani 1 1 d . . .
H23 H 0.5777 1.1023 0.4978 0.076 Uiso 1 1 calc R . .
C24 C 0.5477(3) 0.9977(4) 0.4102(2) 0.0575(12) Uani 1 1 d . . .
H24 H 0.4876 0.9952 0.4022 0.069 Uiso 1 1 calc R . .
Cl1 Cl 0.75823(11) 1.14737(13) 0.55367(6) 0.0908(5) Uani 1 1 d . . .
N3 N 0.5248(2) 0.8699(3) 0.30362(15) 0.0451(8) Uani 1 1 d . . .
Si1 Si 0.52872(8) 0.71103(12) 0.31281(6) 0.0503(3) Uani 1 1 d . . .
C25 C 0.4477(3) 0.6380(4) 0.2340(2) 0.0613(12) Uani 1 1 d . . .
H25A H 0.3894 0.6614 0.2313 0.092 Uiso 1 1 calc R . .
H25B H 0.4535 0.5494 0.2378 0.092 Uiso 1 1 calc R . .
H25C H 0.4583 0.6653 0.1921 0.092 Uiso 1 1 calc R . .
C26 C 0.5022(3) 0.6647(4) 0.3928(2) 0.0676(14) Uani 1 1 d . . .
H26A H 0.5472 0.6946 0.4345 0.101 Uiso 1 1 calc R . .
H26B H 0.4992 0.5759 0.3948 0.101 Uiso 1 1 calc R . .
H26C H 0.4466 0.6996 0.3903 0.101 Uiso 1 1 calc R . .
C27 C 0.6434(3) 0.6519(4) 0.3224(2) 0.0617(13) Uani 1 1 d . . .
H27A H 0.6622 0.6936 0.2872 0.074 Uiso 1 1 calc R . .
H27B H 0.6829 0.6776 0.3685 0.074 Uiso 1 1 calc R . .
N4 N 0.6549(2) 0.5191(3) 0.31565(18) 0.0545(9) Uani 1 1 d . . .
C28 C 0.6472(3) 0.4599(5) 0.2530(2) 0.0646(13) Uani 1 1 d . . .
C29 C 0.6634(4) 0.3396(6) 0.2680(3) 0.0871(17) Uani 1 1 d . . .
H29 H 0.6628 0.2783 0.2352 0.105 Uiso 1 1 calc R . .
C30 C 0.6809(4) 0.3202(5) 0.3392(4) 0.0899(18) Uani 1 1 d . . .
H30 H 0.6935 0.2443 0.3625 0.108 Uiso 1 1 calc R . .
C31 C 0.6765(3) 0.4331(5) 0.3700(3) 0.0721(15) Uani 1 1 d . . .
C32 C 0.6304(4) 0.5262(6) 0.1849(2) 0.112(2) Uani 1 1 d . . .
H32A H 0.5729 0.5628 0.1704 0.168 Uiso 1 1 calc R . .
H32B H 0.6338 0.4686 0.1495 0.168 Uiso 1 1 calc R . .
H32C H 0.6737 0.5901 0.1908 0.168 Uiso 1 1 calc R . .
C33 C 0.6934(5) 0.4678(7) 0.4452(3) 0.139(3) Uani 1 1 d . . .
H33A H 0.7193 0.3988 0.4752 0.209 Uiso 1 1 calc R . .
H33B H 0.6390 0.4898 0.4515 0.209 Uiso 1 1 calc R . .
H33C H 0.7329 0.5373 0.4574 0.209 Uiso 1 1 calc R . .


_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
Sc1 N3 2.076(3) . ?
Sc1 C1 2.236(4) . ?
Sc1 C10 2.236(4) . ?
Sc1 N2 2.351(3) . ?
Sc1 N1 2.358(3) . ?
N1 C2 1.464(5) . ?
N1 C9 1.483(5) . ?
N1 C8 1.491(5) . ?
N2 C11 1.466(5) . ?
N2 C18 1.479(5) . ?
N2 C17 1.485(5) . ?
C1 C3 1.477(5) . ?
C2 C3 1.395(5) . ?
C2 C7 1.397(5) . ?
C3 C4 1.402(5) . ?
C4 C5 1.383(5) . ?
C5 C6 1.381(6) . ?
C6 C7 1.374(6) . ?
C10 C12 1.484(6) . ?
C11 C16 1.391(5) . ?
C11 C12 1.393(6) . ?
C12 C13 1.393(6) . ?
C13 C14 1.385(6) . ?
C14 C15 1.359(7) . ?
C15 C16 1.388(6) . ?
C19 C20 1.381(6) . ?
C19 C24 1.401(5) . ?
C19 N3 1.426(5) . ?
C20 C21 1.391(5) . ?
C21 C22 1.372(6) . ?
C22 C23 1.362(6) . ?
C22 Cl1 1.734(4) . ?
C23 C24 1.376(6) . ?
N3 Si1 1.721(3) . ?
Si1 C25 1.854(4) . ?
Si1 C26 1.865(4) . ?
Si1 C27 1.907(5) . ?
C27 N4 1.456(5) . ?
N4 C28 1.377(5) . ?
N4 C31 1.384(5) . ?
C28 C29 1.336(6) . ?
C28 C32 1.484(6) . ?
C29 C30 1.377(7) . ?
C30 C31 1.378(7) . ?
C31 C33 1.488(7) . ?

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
N3 Sc1 C1 120.82(14) . . ?
N3 Sc1 C10 125.16(15) . . ?
C1 Sc1 C10 114.01(16) . . ?
N3 Sc1 N2 102.23(12) . . ?
C1 Sc1 N2 93.37(13) . . ?
C10 Sc1 N2 73.78(14) . . ?
N3 Sc1 N1 105.26(12) . . ?
C1 Sc1 N1 74.50(14) . . ?
C10 Sc1 N1 88.43(14) . . ?
N2 Sc1 N1 152.42(12) . . ?
C2 N1 C9 113.7(3) . . ?
C2 N1 C8 109.8(3) . . ?
C9 N1 C8 108.8(4) . . ?
C2 N1 Sc1 99.9(2) . . ?
C9 N1 Sc1 109.4(3) . . ?
C8 N1 Sc1 115.1(2) . . ?
C11 N2 C18 113.0(3) . . ?
C11 N2 C17 109.1(3) . . ?
C18 N2 C17 108.2(3) . . ?
C11 N2 Sc1 105.1(2) . . ?
C18 N2 Sc1 109.1(2) . . ?
C17 N2 Sc1 112.3(3) . . ?
C3 C1 Sc1 101.8(3) . . ?
C3 C2 C7 121.5(4) . . ?
C3 C2 N1 116.4(3) . . ?
C7 C2 N1 122.1(4) . . ?
C2 C3 C4 116.5(4) . . ?
C2 C3 C1 119.9(4) . . ?
C4 C3 C1 123.3(4) . . ?
C5 C4 C3 122.3(4) . . ?
C6 C5 C4 119.6(4) . . ?
C7 C6 C5 120.0(4) . . ?
C6 C7 C2 120.1(4) . . ?
C12 C10 Sc1 107.4(3) . . ?
C16 C11 C12 122.3(4) . . ?
C16 C11 N2 121.7(4) . . ?
C12 C11 N2 116.0(4) . . ?
C11 C12 C13 116.8(4) . . ?
C11 C12 C10 118.9(4) . . ?
C13 C12 C10 124.1(4) . . ?
C14 C13 C12 121.6(5) . . ?
C15 C14 C13 120.0(5) . . ?
C14 C15 C16 120.9(5) . . ?
C15 C16 C11 118.4(5) . . ?
C20 C19 C24 116.2(4) . . ?
C20 C19 N3 122.5(4) . . ?
C24 C19 N3 121.4(4) . . ?
C19 C20 C21 122.5(4) . . ?
C22 C21 C20 119.3(5) . . ?
C23 C22 C21 119.8(4) . . ?
C23 C22 Cl1 120.7(4) . . ?
C21 C22 Cl1 119.5(4) . . ?
C22 C23 C24 120.7(4) . . ?
C23 C24 C19 121.5(5) . . ?
C19 N3 Si1 114.6(2) . . ?
C19 N3 Sc1 117.2(2) . . ?
Si1 N3 Sc1 128.17(17) . . ?
N3 Si1 C25 109.96(18) . . ?
N3 Si1 C26 110.38(18) . . ?
C25 Si1 C26 108.6(2) . . ?
N3 Si1 C27 110.02(18) . . ?
C25 Si1 C27 109.1(2) . . ?
C26 Si1 C27 108.8(2) . . ?
N4 C27 Si1 118.0(3) . . ?
C28 N4 C31 109.3(4) . . ?
C28 N4 C27 124.5(4) . . ?
C31 N4 C27 126.2(4) . . ?
C29 C28 N4 107.1(5) . . ?
C29 C28 C32 129.4(5) . . ?
N4 C28 C32 123.3(5) . . ?
C28 C29 C30 109.7(5) . . ?
C29 C30 C31 107.9(5) . . ?
C30 C31 N4 106.0(5) . . ?
C30 C31 C33 131.1(5) . . ?
N4 C31 C33 122.9(5) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.299
_refine_diff_density_min         -0.414
_refine_diff_density_rms         0.062
####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 1839100'
_audit_update_record             
;
2018-06-06 deposited with the CCDC.
2018-06-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H42 Cl La N4 Si'
_chemical_formula_weight         697.16

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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(1)/c

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

_cell_length_a                   11.6583(3)
_cell_length_b                   11.1459(2)
_cell_length_c                   25.1890(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.5920(10)
_cell_angle_gamma                90.00
_cell_volume                     3269.77(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    21576
_cell_measurement_theta_min      3.04
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1424
_exptl_absorpt_coefficient_mu    1.452
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7599
_exptl_absorpt_correction_T_max  0.8116
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30697
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         3.04
_diffrn_reflns_theta_max         27.48
_reflns_number_total             7477
_reflns_number_gt                5890
_reflns_threshold_expression     >2sigma(I)

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

_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)+(0.0276P)²+2.8976P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7477
_refine_ls_number_parameters     369
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0304
_refine_ls_wR_factor_ref         0.0799
_refine_ls_wR_factor_gt          0.0664
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.073
_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 0.275443(15) 0.795638(15) 0.624340(7) 0.03601(6) Uani 1 1 d . . .
Cl1 Cl 0.28491(15) 0.72556(13) 0.89424(4) 0.1040(5) Uani 1 1 d . . .
C1 C 0.3208(3) 0.5943(3) 0.67636(13) 0.0513(8) Uani 1 1 d . . .
H1A H 0.3954 0.5602 0.6698 0.062 Uiso 1 1 calc R . .
H1B H 0.3080 0.5984 0.7141 0.062 Uiso 1 1 calc R . .
C2 C 0.2297(3) 0.5339(3) 0.58897(13) 0.0431(7) Uani 1 1 d . . .
C3 C 0.2279(3) 0.5420(3) 0.64521(13) 0.0446(8) Uani 1 1 d . . .
C4 C 0.1225(3) 0.5092(3) 0.66768(17) 0.0604(10) Uani 1 1 d . . .
H4 H 0.1156 0.5173 0.7041 0.072 Uiso 1 1 calc R . .
C5 C 0.0310(4) 0.4664(4) 0.6375(2) 0.0758(13) Uani 1 1 d . . .
H5 H -0.0362 0.4454 0.6538 0.091 Uiso 1 1 calc R . .
C6 C 0.0372(4) 0.4538(4) 0.5832(2) 0.0728(12) Uani 1 1 d . . .
H6 H -0.0245 0.4225 0.5630 0.087 Uiso 1 1 calc R . .
C7 C 0.1361(3) 0.4882(3) 0.55932(16) 0.0573(9) Uani 1 1 d . . .
H7 H 0.1403 0.4808 0.5227 0.069 Uiso 1 1 calc R . .
N1 N 0.3318(2) 0.5782(2) 0.56576(10) 0.0443(6) Uani 1 1 d . . .
C8 C 0.4328(3) 0.4987(3) 0.57449(15) 0.0545(9) Uani 1 1 d . . .
H8A H 0.4335 0.4668 0.6099 0.082 Uiso 1 1 calc R . .
H8B H 0.5018 0.5438 0.5699 0.082 Uiso 1 1 calc R . .
H8C H 0.4285 0.4340 0.5493 0.082 Uiso 1 1 calc R . .
C9 C 0.3221(3) 0.6077(3) 0.50907(13) 0.0580(9) Uani 1 1 d . . .
H9A H 0.3130 0.5352 0.4887 0.087 Uiso 1 1 calc R . .
H9B H 0.3903 0.6486 0.4991 0.087 Uiso 1 1 calc R . .
H9C H 0.2566 0.6585 0.5022 0.087 Uiso 1 1 calc R . .
C10 C 0.4140(3) 0.8982(3) 0.56223(14) 0.0532(9) Uani 1 1 d . . .
H10A H 0.3870 0.8908 0.5254 0.064 Uiso 1 1 calc R . .
H10B H 0.4230 0.9825 0.5709 0.064 Uiso 1 1 calc R . .
C11 C 0.5636(3) 0.8043(3) 0.62418(15) 0.0466(8) Uani 1 1 d . . .
C12 C 0.5218(3) 0.8330(3) 0.57208(14) 0.0473(8) Uani 1 1 d . . .
C13 C 0.5845(3) 0.7880(3) 0.53025(17) 0.0582(9) Uani 1 1 d . . .
H13 H 0.5599 0.8059 0.4955 0.070 Uiso 1 1 calc R . .
C14 C 0.6807(3) 0.7185(3) 0.5385(2) 0.0665(11) Uani 1 1 d . . .
H14 H 0.7198 0.6904 0.5096 0.080 Uiso 1 1 calc R . .
C15 C 0.7199(3) 0.6900(3) 0.5896(2) 0.0676(12) Uani 1 1 d . . .
H15 H 0.7846 0.6422 0.5954 0.081 Uiso 1 1 calc R . .
C16 C 0.6606(3) 0.7343(3) 0.63204(18) 0.0598(10) Uani 1 1 d . . .
H16 H 0.6869 0.7163 0.6665 0.072 Uiso 1 1 calc R . .
N2 N 0.5002(2) 0.8523(3) 0.66762(12) 0.0498(7) Uani 1 1 d . . .
C17 C 0.5276(3) 0.9807(3) 0.67585(18) 0.0698(11) Uani 1 1 d . . .
H17A H 0.6053 0.9885 0.6897 0.105 Uiso 1 1 calc R . .
H17B H 0.4763 1.0144 0.7006 0.105 Uiso 1 1 calc R . .
H17C H 0.5190 1.0224 0.6426 0.105 Uiso 1 1 calc R . .
C18 C 0.5227(3) 0.7904(4) 0.71917(15) 0.0652(11) Uani 1 1 d . . .
H18A H 0.5114 0.7057 0.7146 0.098 Uiso 1 1 calc R . .
H18B H 0.4709 0.8201 0.7447 0.098 Uiso 1 1 calc R . .
H18C H 0.6004 0.8054 0.7317 0.098 Uiso 1 1 calc R . .
N3 N 0.0652(2) 0.9772(2) 0.58663(10) 0.0421(6) Uani 1 1 d . . .
C19 C 0.1168(3) 0.9453(3) 0.54068(13) 0.0466(8) Uani 1 1 d . . .
C20 C 0.0997(3) 0.8241(3) 0.53292(14) 0.0530(9) Uani 1 1 d . . .
C21 C 0.0358(3) 0.7813(3) 0.57582(16) 0.0536(9) Uani 1 1 d . . .
C22 C 0.0152(3) 0.8772(3) 0.60814(14) 0.0469(8) Uani 1 1 d . . .
C23 C 0.1738(3) 1.0346(4) 0.50693(15) 0.0650(11) Uani 1 1 d . . .
H23A H 0.1182 1.0920 0.4936 0.098 Uiso 1 1 calc R . .
H23B H 0.2072 0.9944 0.4777 0.098 Uiso 1 1 calc R . .
H23C H 0.2329 1.0753 0.5277 0.098 Uiso 1 1 calc R . .
C24 C -0.0570(3) 0.8859(4) 0.65573(16) 0.0691(11) Uani 1 1 d . . .
H24A H -0.1250 0.9315 0.6468 0.104 Uiso 1 1 calc R . .
H24B H -0.0140 0.9249 0.6842 0.104 Uiso 1 1 calc R . .
H24C H -0.0782 0.8068 0.6667 0.104 Uiso 1 1 calc R . .
C25 C 0.0693(3) 1.0946(3) 0.61222(15) 0.0537(9) Uani 1 1 d . . .
H25A H -0.0052 1.1117 0.6261 0.064 Uiso 1 1 calc R . .
H25B H 0.0844 1.1552 0.5858 0.064 Uiso 1 1 calc R . .
Si1 Si 0.18415(8) 1.10583(8) 0.66897(4) 0.0454(2) Uani 1 1 d . . .
C26 C 0.2995(4) 1.2035(3) 0.64338(17) 0.0623(10) Uani 1 1 d . . .
H26A H 0.3589 1.2142 0.6706 0.093 Uiso 1 1 calc R . .
H26B H 0.2677 1.2801 0.6334 0.093 Uiso 1 1 calc R . .
H26C H 0.3312 1.1663 0.6129 0.093 Uiso 1 1 calc R . .
C27 C 0.1183(4) 1.1848(3) 0.72555(16) 0.0655(11) Uani 1 1 d . . .
H27A H 0.0681 1.1308 0.7430 0.098 Uiso 1 1 calc R . .
H27B H 0.0751 1.2527 0.7123 0.098 Uiso 1 1 calc R . .
H27C H 0.1777 1.2115 0.7504 0.098 Uiso 1 1 calc R . .
N4 N 0.2217(2) 0.9611(2) 0.68317(10) 0.0419(6) Uani 1 1 d . . .
C28 C 0.2320(3) 0.9132(3) 0.73422(12) 0.0389(7) Uani 1 1 d . . .
C29 C 0.1836(3) 0.8010(3) 0.74512(13) 0.0458(7) Uani 1 1 d . . .
H29 H 0.1378 0.7638 0.7188 0.055 Uiso 1 1 calc R . .
C30 C 0.2013(3) 0.7438(3) 0.79344(14) 0.0558(9) Uani 1 1 d . . .
H30 H 0.1709 0.6677 0.7986 0.067 Uiso 1 1 calc R . .
C31 C 0.2631(4) 0.7987(4) 0.83328(14) 0.0589(10) Uani 1 1 d . . .
C32 C 0.3087(3) 0.9111(4) 0.82599(15) 0.0647(11) Uani 1 1 d . . .
H32 H 0.3495 0.9493 0.8537 0.078 Uiso 1 1 calc R . .
C33 C 0.2934(3) 0.9670(3) 0.77708(14) 0.0547(9) Uani 1 1 d . . .
H33 H 0.3248 1.0428 0.7725 0.066 Uiso 1 1 calc R . .


_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 N4 2.464(3) . ?
La1 C10 2.567(3) . ?
La1 C1 2.640(3) . ?
La1 N2 2.862(3) . ?
La1 N1 2.927(3) . ?
La1 C3 2.933(3) . ?
La1 C21 3.003(3) . ?
La1 C20 3.029(3) . ?
La1 C2 3.090(3) . ?
Cl1 C31 1.747(4) . ?
C1 C3 1.432(5) . ?
C2 C7 1.390(5) . ?
C2 C3 1.421(5) . ?
C2 N1 1.437(4) . ?
C3 C4 1.424(5) . ?
C4 C5 1.367(6) . ?
C5 C6 1.381(6) . ?
C6 C7 1.379(6) . ?
N1 C9 1.465(4) . ?
N1 C8 1.482(4) . ?
C10 C12 1.463(5) . ?
C11 C16 1.381(5) . ?
C11 C12 1.416(5) . ?
C11 N2 1.450(4) . ?
C12 C13 1.402(5) . ?
C13 C14 1.371(5) . ?
C14 C15 1.383(6) . ?
C15 C16 1.390(6) . ?
N2 C17 1.479(5) . ?
N2 C18 1.483(4) . ?
N3 C19 1.375(4) . ?
N3 C22 1.380(4) . ?
N3 C25 1.458(4) . ?
C19 C20 1.378(5) . ?
C19 C23 1.486(5) . ?
C20 C21 1.422(5) . ?
C21 C22 1.371(5) . ?
C22 C24 1.499(5) . ?
C25 Si1 1.918(4) . ?
Si1 N4 1.705(3) . ?
Si1 C26 1.867(4) . ?
Si1 C27 1.869(4) . ?
N4 C28 1.393(4) . ?
C28 C33 1.403(4) . ?
C28 C29 1.404(4) . ?
C29 C30 1.381(5) . ?
C30 C31 1.355(5) . ?
C31 C32 1.376(6) . ?
C32 C33 1.385(5) . ?

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
N4 La1 C10 102.55(11) . . ?
N4 La1 C1 112.85(10) . . ?
C10 La1 C1 124.30(11) . . ?
N4 La1 N2 81.91(8) . . ?
C10 La1 N2 62.85(10) . . ?
C1 La1 N2 80.74(10) . . ?
N4 La1 N1 172.54(8) . . ?
C10 La1 N1 84.25(10) . . ?
C1 La1 N1 60.13(9) . . ?
N2 La1 N1 98.75(8) . . ?
N4 La1 C3 123.94(9) . . ?
C10 La1 C3 131.88(11) . . ?
C1 La1 C3 29.18(10) . . ?
N2 La1 C3 108.75(9) . . ?
N1 La1 C3 48.77(8) . . ?
N4 La1 C21 91.56(10) . . ?
C10 La1 C21 112.02(11) . . ?
C1 La1 C21 108.59(11) . . ?
N2 La1 C21 170.25(9) . . ?
N1 La1 C21 88.67(9) . . ?
C3 La1 C21 80.91(9) . . ?
N4 La1 C20 101.37(9) . . ?
C10 La1 C20 84.98(11) . . ?
C1 La1 C20 125.44(11) . . ?
N2 La1 C20 147.40(10) . . ?
N1 La1 C20 82.13(9) . . ?
C3 La1 C20 96.35(10) . . ?
C21 La1 C20 27.27(10) . . ?
N4 La1 C2 146.58(9) . . ?
C10 La1 C2 110.48(11) . . ?
C1 La1 C2 50.85(10) . . ?
N2 La1 C2 117.46(8) . . ?
N1 La1 C2 27.47(8) . . ?
C3 La1 C2 27.12(9) . . ?
C21 La1 C2 71.77(9) . . ?
C20 La1 C2 77.16(9) . . ?
C3 C1 La1 86.83(19) . . ?
C7 C2 C3 120.8(3) . . ?
C7 C2 N1 123.5(3) . . ?
C3 C2 N1 115.7(3) . . ?
C7 C2 La1 128.4(2) . . ?
C3 C2 La1 70.28(17) . . ?
N1 C2 La1 69.95(16) . . ?
C2 C3 C4 115.6(3) . . ?
C2 C3 C1 121.8(3) . . ?
C4 C3 C1 122.1(3) . . ?
C2 C3 La1 82.59(18) . . ?
C4 C3 La1 119.5(2) . . ?
C1 C3 La1 63.99(17) . . ?
C5 C4 C3 122.3(4) . . ?
C4 C5 C6 120.8(4) . . ?
C7 C6 C5 119.1(4) . . ?
C6 C7 C2 121.2(4) . . ?
C2 N1 C9 116.4(3) . . ?
C2 N1 C8 113.6(3) . . ?
C9 N1 C8 107.7(3) . . ?
C2 N1 La1 82.58(17) . . ?
C9 N1 La1 107.28(19) . . ?
C8 N1 La1 128.0(2) . . ?
C12 C10 La1 103.6(2) . . ?
C16 C11 C12 120.4(4) . . ?
C16 C11 N2 122.8(3) . . ?
C12 C11 N2 116.8(3) . . ?
C13 C12 C11 116.5(3) . . ?
C13 C12 C10 121.6(3) . . ?
C11 C12 C10 121.8(3) . . ?
C14 C13 C12 122.6(4) . . ?
C13 C14 C15 120.2(4) . . ?
C14 C15 C16 118.7(4) . . ?
C11 C16 C15 121.5(4) . . ?
C11 N2 C17 110.4(3) . . ?
C11 N2 C18 114.4(3) . . ?
C17 N2 C18 107.4(3) . . ?
C11 N2 La1 96.94(18) . . ?
C17 N2 La1 117.1(2) . . ?
C18 N2 La1 110.7(2) . . ?
C19 N3 C22 109.3(3) . . ?
C19 N3 C25 126.7(3) . . ?
C22 N3 C25 123.8(3) . . ?
N3 C19 C20 107.9(3) . . ?
N3 C19 C23 122.2(3) . . ?
C20 C19 C23 129.9(4) . . ?
C19 C20 C21 107.3(3) . . ?
C19 C20 La1 84.6(2) . . ?
C21 C20 La1 75.33(19) . . ?
C22 C21 C20 107.6(3) . . ?
C22 C21 La1 84.4(2) . . ?
C20 C21 La1 77.40(19) . . ?
C21 C22 N3 107.9(3) . . ?
C21 C22 C24 130.2(3) . . ?
N3 C22 C24 121.6(3) . . ?
N3 C25 Si1 113.3(2) . . ?
N4 Si1 C26 116.23(16) . . ?
N4 Si1 C27 113.33(17) . . ?
C26 Si1 C27 108.40(19) . . ?
N4 Si1 C25 104.99(14) . . ?
C26 Si1 C25 105.67(18) . . ?
C27 Si1 C25 107.57(18) . . ?
C28 N4 Si1 124.6(2) . . ?
C28 N4 La1 104.74(18) . . ?
Si1 N4 La1 130.66(14) . . ?
N4 C28 C33 124.5(3) . . ?
N4 C28 C29 120.2(3) . . ?
C33 C28 C29 115.2(3) . . ?
C30 C29 C28 122.6(3) . . ?
C31 C30 C29 119.8(4) . . ?
C30 C31 C32 120.5(3) . . ?
C30 C31 Cl1 119.4(3) . . ?
C32 C31 Cl1 120.0(3) . . ?
C31 C32 C33 119.6(3) . . ?
C32 C33 C28 122.2(3) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.601
_refine_diff_density_min         -0.583
_refine_diff_density_rms         0.084
