# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2012


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#
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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material 
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data_Compound2
_database_code_depnum_ccdc_archive 'CCDC 904595'
#TrackingRef 'Compound2.cif'

#data_ab510

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H56 Ce N4 Si8'
_chemical_formula_sum            'C16 H56 Ce N4 Si8'
_chemical_formula_weight         669.49

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'
Ce Ce -0.2486 2.6331 '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
_symmetry_space_group_name_HALL  '-P 2ybc'

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                   18.3037(9)
_cell_length_b                   11.1158(5)
_cell_length_c                   18.8563(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.5590(10)
_cell_angle_gamma                90.00
_cell_volume                     3657.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    103(2)
_cell_measurement_reflns_used    9240
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      31.56

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.216
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1400
_exptl_absorpt_coefficient_mu    1.518
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4439
_exptl_absorpt_correction_T_max  0.9038
_exptl_absorpt_process_details   
;
SADABS version 2008/1, G.M Sheldrick, University of
G\"ttingen, Germany, 2008.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      103(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS Rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            65647
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_sigmaI/netI    0.0281
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.15
_diffrn_reflns_theta_max         31.58
_reflns_number_total             12241
_reflns_number_gt                11126
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       
;
Bruker (2008). APEX2, version 2008.5-0, Bruker AXS Inc., Madison,
Wisconsin, USA.
;
_computing_cell_refinement       
;
Bruker (2008). SAINT, version 7.56A, Bruker AXS Inc., Madison,
Wisconsin, USA.
;
_computing_data_reduction        
;
Bruker (2008). SAINT, version 7.56A, Bruker AXS Inc., Madison,
Wisconsin, USA.
;
_computing_structure_solution    
;
Sheldrick, G. M. (2008). Acta Crystallographica, A64, 112-122.
;
_computing_structure_refinement  
;
Sheldrick, G. M. (2008). Acta Crystallographica, A64, 112-122.
;
_computing_molecular_graphics    
;
Brandenburg, K. (2009). DIAMOND. Version 3.2c. Crystal Impact GbR, Bonn,
Germany.
;
_computing_publication_material  
;
Bruker AXS (2008). SHELXTL. Version 2008/1. Bruker AXS Inc., Madison,
Wisconsin, USA.
;

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0369P)^2^+0.9562P] where P=(Fo^2^+2Fc^2^)/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         12241
_refine_ls_number_parameters     286
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0243
_refine_ls_wR_factor_ref         0.0662
_refine_ls_wR_factor_gt          0.0636
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_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
Ce1 Ce 0.248469(3) 0.609486(6) 0.254682(4) 0.01445(3) Uani 1 1 d . . .
Si1 Si 0.06846(2) 0.66604(4) 0.22369(2) 0.02111(7) Uani 1 1 d . . .
HI1 H 0.0932 0.5463 0.2547 0.036(5) Uiso 1 1 calc R . .
N1 N 0.14994(6) 0.73887(10) 0.22064(6) 0.0192(2) Uani 1 1 d . . .
C1 C -0.00353(9) 0.63943(16) 0.13151(9) 0.0305(3) Uani 1 1 d . . .
H1A H -0.0218 0.7168 0.1079 0.046 Uiso 1 1 calc R . .
H1B H -0.0469 0.5940 0.1382 0.046 Uiso 1 1 calc R . .
H1C H 0.0201 0.5934 0.0999 0.046 Uiso 1 1 calc R . .
Si2 Si 0.16088(2) 0.88522(3) 0.19717(2) 0.02226(8) Uani 1 1 d . . .
HI2 H 0.2393 0.8977 0.1925 0.038(6) Uiso 1 1 calc R . .
N2 N 0.25964(6) 0.51531(10) 0.36233(6) 0.0192(2) Uani 1 1 d . . .
C2 C 0.01968(9) 0.73628(18) 0.28688(9) 0.0370(4) Uani 1 1 d . . .
H2A H 0.0580 0.7593 0.3336 0.055 Uiso 1 1 calc R . .
H2B H -0.0163 0.6785 0.2972 0.055 Uiso 1 1 calc R . .
H2C H -0.0084 0.8079 0.2631 0.055 Uiso 1 1 calc R . .
Si3 Si 0.21278(2) 0.55354(4) 0.42523(2) 0.02456(8) Uani 1 1 d . . .
HI3 H 0.1767 0.6714 0.4030 0.034(5) Uiso 1 1 calc R . .
N3 N 0.21673(6) 0.48756(10) 0.15487(6) 0.01906(19) Uani 1 1 d . . .
C3 C 0.09417(11) 0.92873(16) 0.10496(10) 0.0392(4) Uani 1 1 d . . .
H3A H 0.0984 0.8707 0.0673 0.059 Uiso 1 1 calc R . .
H3B H 0.1075 1.0092 0.0916 0.059 Uiso 1 1 calc R . .
H3C H 0.0415 0.9293 0.1075 0.059 Uiso 1 1 calc R . .
Si4 Si 0.32265(3) 0.39940(4) 0.36814(2) 0.02939(9) Uani 1 1 d . . .
HI4 H 0.3359 0.3932 0.2951 0.042(6) Uiso 1 1 calc R . .
N4 N 0.36691(6) 0.69067(11) 0.28420(6) 0.0215(2) Uani 1 1 d . . .
C4 C 0.15055(12) 0.99372(15) 0.26904(11) 0.0421(4) Uani 1 1 d . . .
H4A H 0.0985 0.9885 0.2732 0.063 Uiso 1 1 calc R . .
H4B H 0.1600 1.0756 0.2546 0.063 Uiso 1 1 calc R . .
H4C H 0.1877 0.9741 0.3171 0.063 Uiso 1 1 calc R . .
Si5 Si 0.22880(3) 0.57161(4) 0.08322(2) 0.02474(8) Uani 1 1 d . . .
HI5 H 0.2604 0.6870 0.1168 0.036(5) Uiso 1 1 calc R . .
C5 C 0.13514(12) 0.4450(2) 0.42481(11) 0.0554(6) Uani 1 1 d . . .
H5A H 0.1043 0.4289 0.3734 0.083 Uiso 1 1 calc R . .
H5B H 0.1024 0.4792 0.4523 0.083 Uiso 1 1 calc R . .
H5C H 0.1578 0.3697 0.4485 0.083 Uiso 1 1 calc R . .
Si6 Si 0.18450(2) 0.34233(3) 0.15467(2) 0.01965(7) Uani 1 1 d . . .
HI6 H 0.1696 0.3221 0.2261 0.030(5) Uiso 1 1 calc R . .
C6 C 0.27848(10) 0.56871(18) 0.52186(8) 0.0361(4) Uani 1 1 d . . .
H6A H 0.3013 0.4903 0.5394 0.054 Uiso 1 1 calc R . .
H6B H 0.2495 0.5973 0.5546 0.054 Uiso 1 1 calc R . .
H6C H 0.3191 0.6264 0.5224 0.054 Uiso 1 1 calc R . .
Si7 Si 0.44031(2) 0.64456(4) 0.25134(2) 0.02435(8) Uani 1 1 d . . .
HI7 H 0.4192 0.5261 0.2165 0.038(5) Uiso 1 1 calc R . .
C7 C 0.28467(17) 0.24929(17) 0.38311(13) 0.0648(7) Uani 1 1 d . . .
H7A H 0.2846 0.2425 0.4349 0.097 Uiso 1 1 calc R . .
H7B H 0.3172 0.1861 0.3724 0.097 Uiso 1 1 calc R . .
H7C H 0.2323 0.2402 0.3499 0.097 Uiso 1 1 calc R . .
Si8 Si 0.36870(2) 0.80328(4) 0.34666(2) 0.02347(8) Uani 1 1 d . . .
HI8 H 0.2900 0.8121 0.3509 0.034(5) Uiso 1 1 calc R . .
C8 C 0.41843(11) 0.4210(2) 0.43716(11) 0.0478(5) Uani 1 1 d . . .
H8A H 0.4380 0.5011 0.4307 0.072 Uiso 1 1 calc R . .
H8B H 0.4538 0.3596 0.4296 0.072 Uiso 1 1 calc R . .
H8C H 0.4141 0.4137 0.4875 0.072 Uiso 1 1 calc R . .
C9 C 0.30032(13) 0.5116(2) 0.04006(11) 0.0479(5) Uani 1 1 d . . .
H9A H 0.3485 0.4950 0.0790 0.072 Uiso 1 1 calc R . .
H9B H 0.3093 0.5711 0.0052 0.072 Uiso 1 1 calc R . .
H9C H 0.2808 0.4371 0.0132 0.072 Uiso 1 1 calc R . .
C10 C 0.13984(12) 0.61081(15) 0.00819(10) 0.0397(4) Uani 1 1 d . . .
H10A H 0.1170 0.5375 -0.0182 0.060 Uiso 1 1 calc R . .
H10B H 0.1522 0.6666 -0.0268 0.060 Uiso 1 1 calc R . .
H10C H 0.1034 0.6490 0.0300 0.060 Uiso 1 1 calc R . .
C11 C 0.25741(10) 0.22953(15) 0.14722(11) 0.0389(4) Uani 1 1 d . . .
H11A H 0.2659 0.2369 0.0985 0.058 Uiso 1 1 calc R . .
H11B H 0.2389 0.1483 0.1527 0.058 Uiso 1 1 calc R . .
H11C H 0.3056 0.2441 0.1865 0.058 Uiso 1 1 calc R . .
C12 C 0.09330(9) 0.31424(14) 0.07945(9) 0.0321(3) Uani 1 1 d . . .
H12A H 0.0548 0.3732 0.0831 0.048 Uiso 1 1 calc R . .
H12B H 0.0749 0.2329 0.0847 0.048 Uiso 1 1 calc R . .
H12C H 0.1022 0.3218 0.0309 0.048 Uiso 1 1 calc R . .
C13 C 0.45640(12) 0.74677(19) 0.17921(11) 0.0449(4) Uani 1 1 d . . .
H13A H 0.4083 0.7571 0.1390 0.067 Uiso 1 1 calc R . .
H13B H 0.4952 0.7119 0.1591 0.067 Uiso 1 1 calc R . .
H13C H 0.4742 0.8252 0.2016 0.067 Uiso 1 1 calc R . .
C14 C 0.53249(9) 0.6260(2) 0.32711(11) 0.0415(4) Uani 1 1 d . . .
H14A H 0.5487 0.7039 0.3510 0.062 Uiso 1 1 calc R . .
H14B H 0.5718 0.5956 0.3061 0.062 Uiso 1 1 calc R . .
H14C H 0.5254 0.5688 0.3640 0.062 Uiso 1 1 calc R . .
C15 C 0.39200(10) 0.95521(15) 0.31772(12) 0.0408(4) Uani 1 1 d . . .
H15A H 0.4453 0.9565 0.3171 0.061 Uiso 1 1 calc R . .
H15B H 0.3850 1.0156 0.3530 0.061 Uiso 1 1 calc R . .
H15C H 0.3579 0.9735 0.2679 0.061 Uiso 1 1 calc R . .
C16 C 0.43043(9) 0.77762(18) 0.44390(9) 0.0361(4) Uani 1 1 d . . .
H16A H 0.4169 0.7006 0.4619 0.054 Uiso 1 1 calc R . .
H16B H 0.4225 0.8428 0.4758 0.054 Uiso 1 1 calc R . .
H16C H 0.4843 0.7760 0.4451 0.054 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ce1 0.01556(4) 0.01418(4) 0.01331(4) -0.00028(2) 0.00387(3) 0.00089(2)
Si1 0.01803(16) 0.02490(17) 0.01891(16) -0.00080(13) 0.00333(13) -0.00136(13)
N1 0.0185(5) 0.0175(5) 0.0201(5) -0.0006(4) 0.0036(4) 0.0019(4)
C1 0.0244(7) 0.0382(8) 0.0243(7) -0.0016(6) 0.0006(5) -0.0069(6)
Si2 0.02106(17) 0.01691(16) 0.0281(2) 0.00003(13) 0.00639(15) 0.00227(12)
N2 0.0222(5) 0.0196(5) 0.0146(4) 0.0000(4) 0.0040(4) -0.0007(4)
C2 0.0230(7) 0.0574(11) 0.0320(8) -0.0098(7) 0.0106(6) -0.0016(7)
Si3 0.02388(18) 0.0336(2) 0.01722(16) -0.00159(14) 0.00776(14) -0.00400(15)
N3 0.0237(5) 0.0169(5) 0.0163(5) -0.0017(4) 0.0057(4) -0.0020(4)
C3 0.0378(9) 0.0304(8) 0.0414(9) 0.0146(7) 0.0000(7) 0.0018(7)
Si4 0.0415(2) 0.0249(2) 0.01748(18) 0.00073(13) 0.00234(17) 0.01252(16)
N4 0.0166(5) 0.0263(5) 0.0216(5) 0.0007(4) 0.0059(4) -0.0002(4)
C4 0.0562(11) 0.0236(7) 0.0498(11) -0.0077(7) 0.0213(9) 0.0046(7)
Si5 0.0348(2) 0.02378(18) 0.01716(16) -0.00328(13) 0.01007(15) -0.00900(15)
C5 0.0454(11) 0.0926(17) 0.0301(9) -0.0062(10) 0.0145(8) -0.0386(11)
Si6 0.02325(17) 0.01553(15) 0.01940(16) -0.00115(12) 0.00525(13) -0.00084(13)
C6 0.0366(8) 0.0526(10) 0.0192(7) -0.0085(6) 0.0086(6) -0.0098(8)
Si7 0.01859(17) 0.0316(2) 0.02434(18) -0.00161(15) 0.00866(14) -0.00063(14)
C7 0.113(2) 0.0224(8) 0.0461(12) 0.0077(8) 0.0039(12) 0.0062(11)
Si8 0.01691(16) 0.02517(18) 0.02719(19) -0.00275(14) 0.00494(14) -0.00050(13)
C8 0.0394(10) 0.0653(12) 0.0304(9) -0.0004(9) -0.0020(7) 0.0278(9)
C9 0.0587(12) 0.0565(12) 0.0407(10) -0.0143(9) 0.0331(9) -0.0123(10)
C10 0.0548(11) 0.0349(9) 0.0217(7) 0.0073(6) -0.0001(7) -0.0110(7)
C11 0.0374(9) 0.0233(7) 0.0558(11) -0.0067(7) 0.0135(8) 0.0060(6)
C12 0.0333(8) 0.0262(7) 0.0295(7) -0.0009(6) -0.0015(6) -0.0071(6)
C13 0.0459(10) 0.0528(11) 0.0461(10) 0.0095(9) 0.0292(9) 0.0001(9)
C14 0.0190(7) 0.0665(12) 0.0379(9) -0.0096(8) 0.0070(6) 0.0066(7)
C15 0.0334(8) 0.0283(8) 0.0591(12) -0.0011(7) 0.0116(8) -0.0085(6)
C16 0.0284(7) 0.0487(10) 0.0277(7) -0.0096(7) 0.0034(6) 0.0053(7)

_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
Ce1 N2 2.2378(11) . ?
Ce1 N1 2.2438(11) . ?
Ce1 N3 2.2488(11) . ?
Ce1 N4 2.2574(11) . ?
Ce1 Si5 3.1714(4) . ?
Ce1 Si4 3.1814(4) . ?
Ce1 Si8 3.1919(4) . ?
Ce1 Si1 3.2297(4) . ?
Ce1 Si2 3.4773(4) . ?
Si1 N1 1.7131(12) . ?
Si1 C1 1.8609(15) . ?
Si1 C2 1.8624(16) . ?
N1 Si2 1.7134(12) . ?
Si2 C3 1.8620(17) . ?
Si2 C4 1.8659(17) . ?
N2 Si4 1.7106(12) . ?
N2 Si3 1.7135(12) . ?
Si3 C5 1.8626(19) . ?
Si3 C6 1.8634(16) . ?
N3 Si5 1.7108(11) . ?
N3 Si6 1.7185(11) . ?
Si4 C8 1.857(2) . ?
Si4 C7 1.862(2) . ?
N4 Si8 1.7123(12) . ?
N4 Si7 1.7187(12) . ?
Si5 C10 1.8581(19) . ?
Si5 C9 1.8613(19) . ?
Si6 C12 1.8620(15) . ?
Si6 C11 1.8671(16) . ?
Si7 C13 1.8625(18) . ?
Si7 C14 1.8644(18) . ?
Si8 C16 1.8628(16) . ?
Si8 C15 1.8634(18) . ?

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
N2 Ce1 N1 113.89(4) . . ?
N2 Ce1 N3 114.03(4) . . ?
N1 Ce1 N3 99.47(4) . . ?
N2 Ce1 N4 98.35(4) . . ?
N1 Ce1 N4 116.33(4) . . ?
N3 Ce1 N4 115.70(4) . . ?
N2 Ce1 Si5 144.48(3) . . ?
N1 Ce1 Si5 87.66(3) . . ?
N3 Ce1 Si5 31.30(3) . . ?
N4 Ce1 Si5 96.29(3) . . ?
N2 Ce1 Si4 31.01(3) . . ?
N1 Ce1 Si4 143.71(3) . . ?
N3 Ce1 Si4 94.04(3) . . ?
N4 Ce1 Si4 86.81(3) . . ?
Si5 Ce1 Si4 118.834(12) . . ?
N2 Ce1 Si8 87.91(3) . . ?
N1 Ce1 Si8 94.92(3) . . ?
N3 Ce1 Si8 145.40(3) . . ?
N4 Ce1 Si8 31.00(3) . . ?
Si5 Ce1 Si8 119.414(11) . . ?
Si4 Ce1 Si8 92.613(12) . . ?
N2 Ce1 Si1 93.68(3) . . ?
N1 Ce1 Si1 30.16(3) . . ?
N3 Ce1 Si1 88.51(3) . . ?
N4 Ce1 Si1 144.91(3) . . ?
Si5 Ce1 Si1 92.608(11) . . ?
Si4 Ce1 Si1 118.014(12) . . ?
Si8 Ce1 Si1 117.740(10) . . ?
N2 Ce1 Si2 127.06(3) . . ?
N1 Ce1 Si2 24.58(3) . . ?
N3 Ce1 Si2 106.97(3) . . ?
N4 Ce1 Si2 92.45(3) . . ?
Si5 Ce1 Si2 84.215(11) . . ?
Si4 Ce1 Si2 156.898(11) . . ?
Si8 Ce1 Si2 75.642(10) . . ?
Si1 Ce1 Si2 54.745(10) . . ?
N1 Si1 C1 114.97(7) . . ?
N1 Si1 C2 114.43(7) . . ?
C1 Si1 C2 108.86(8) . . ?
C1 Si1 Ce1 122.30(6) . . ?
C2 Si1 Ce1 128.73(5) . . ?
Si1 N1 Si2 128.91(7) . . ?
Si1 N1 Ce1 108.68(5) . . ?
Si2 N1 Ce1 122.41(6) . . ?
N1 Si2 C3 113.14(7) . . ?
N1 Si2 C4 112.38(7) . . ?
C3 Si2 C4 109.19(9) . . ?
C3 Si2 Ce1 129.12(6) . . ?
C4 Si2 Ce1 118.78(6) . . ?
Si4 N2 Si3 127.67(7) . . ?
Si4 N2 Ce1 106.60(5) . . ?
Si3 N2 Ce1 125.73(6) . . ?
N2 Si3 C5 112.14(8) . . ?
N2 Si3 C6 112.90(7) . . ?
C5 Si3 C6 109.22(8) . . ?
Si5 N3 Si6 129.60(7) . . ?
Si5 N3 Ce1 105.64(5) . . ?
Si6 N3 Ce1 124.74(6) . . ?
N2 Si4 C8 115.04(8) . . ?
N2 Si4 C7 114.17(10) . . ?
C8 Si4 C7 109.05(11) . . ?
C8 Si4 Ce1 119.84(8) . . ?
C7 Si4 Ce1 131.05(8) . . ?
Si8 N4 Si7 127.67(7) . . ?
Si8 N4 Ce1 106.23(5) . . ?
Si7 N4 Ce1 126.08(6) . . ?
N3 Si5 C10 115.92(7) . . ?
N3 Si5 C9 115.14(8) . . ?
C10 Si5 C9 108.76(10) . . ?
C10 Si5 Ce1 123.30(7) . . ?
C9 Si5 Ce1 127.94(7) . . ?
N3 Si6 C12 112.80(6) . . ?
N3 Si6 C11 112.23(7) . . ?
C12 Si6 C11 109.08(8) . . ?
N4 Si7 C13 113.23(8) . . ?
N4 Si7 C14 112.45(7) . . ?
C13 Si7 C14 108.74(10) . . ?
N4 Si8 C16 116.44(7) . . ?
N4 Si8 C15 114.82(8) . . ?
C16 Si8 C15 107.61(9) . . ?
C16 Si8 Ce1 123.06(6) . . ?
C15 Si8 Ce1 129.33(6) . . ?

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
N2 Ce1 Si1 N1 134.17(6) . . . . ?
N3 Ce1 Si1 N1 -111.85(6) . . . . ?
N4 Ce1 Si1 N1 24.01(8) . . . . ?
Si5 Ce1 Si1 N1 -80.81(6) . . . . ?
Si4 Ce1 Si1 N1 154.36(6) . . . . ?
Si8 Ce1 Si1 N1 44.60(6) . . . . ?
Si2 Ce1 Si1 N1 0.23(6) . . . . ?
N2 Ce1 Si1 C1 -133.79(7) . . . . ?
N1 Ce1 Si1 C1 92.04(9) . . . . ?
N3 Ce1 Si1 C1 -19.81(7) . . . . ?
N4 Ce1 Si1 C1 116.04(8) . . . . ?
Si5 Ce1 Si1 C1 11.23(7) . . . . ?
Si4 Ce1 Si1 C1 -113.60(6) . . . . ?
Si8 Ce1 Si1 C1 136.64(6) . . . . ?
Si2 Ce1 Si1 C1 92.27(7) . . . . ?
N2 Ce1 Si1 C2 50.59(9) . . . . ?
N1 Ce1 Si1 C2 -83.58(10) . . . . ?
N3 Ce1 Si1 C2 164.57(9) . . . . ?
N4 Ce1 Si1 C2 -59.57(10) . . . . ?
Si5 Ce1 Si1 C2 -164.39(8) . . . . ?
Si4 Ce1 Si1 C2 70.78(8) . . . . ?
Si8 Ce1 Si1 C2 -38.98(8) . . . . ?
Si2 Ce1 Si1 C2 -83.35(8) . . . . ?
C1 Si1 N1 Si2 69.21(11) . . . . ?
C2 Si1 N1 Si2 -57.89(11) . . . . ?
Ce1 Si1 N1 Si2 -179.51(12) . . . . ?
C1 Si1 N1 Ce1 -111.28(7) . . . . ?
C2 Si1 N1 Ce1 121.63(8) . . . . ?
N2 Ce1 N1 Si1 -51.52(7) . . . . ?
N3 Ce1 N1 Si1 70.17(6) . . . . ?
N4 Ce1 N1 Si1 -164.87(5) . . . . ?
Si5 Ce1 N1 Si1 99.26(5) . . . . ?
Si4 Ce1 N1 Si1 -40.19(8) . . . . ?
Si8 Ce1 N1 Si1 -141.41(5) . . . . ?
Si2 Ce1 N1 Si1 -179.55(11) . . . . ?
N2 Ce1 N1 Si2 128.03(7) . . . . ?
N3 Ce1 N1 Si2 -110.28(7) . . . . ?
N4 Ce1 N1 Si2 14.68(8) . . . . ?
Si5 Ce1 N1 Si2 -81.19(6) . . . . ?
Si4 Ce1 N1 Si2 139.36(5) . . . . ?
Si8 Ce1 N1 Si2 38.14(7) . . . . ?
Si1 Ce1 N1 Si2 179.55(11) . . . . ?
Si1 N1 Si2 C3 -53.56(12) . . . . ?
Ce1 N1 Si2 C3 126.99(9) . . . . ?
Si1 N1 Si2 C4 70.68(11) . . . . ?
Ce1 N1 Si2 C4 -108.77(9) . . . . ?
Si1 N1 Si2 Ce1 179.45(14) . . . . ?
N2 Ce1 Si2 N1 -64.48(8) . . . . ?
N3 Ce1 Si2 N1 75.31(8) . . . . ?
N4 Ce1 Si2 N1 -166.86(7) . . . . ?
Si5 Ce1 Si2 N1 97.06(7) . . . . ?
Si4 Ce1 Si2 N1 -79.26(8) . . . . ?
Si8 Ce1 Si2 N1 -140.57(7) . . . . ?
Si1 Ce1 Si2 N1 -0.28(7) . . . . ?
N2 Ce1 Si2 C3 -135.70(9) . . . . ?
N1 Ce1 Si2 C3 -71.21(11) . . . . ?
N3 Ce1 Si2 C3 4.10(9) . . . . ?
N4 Ce1 Si2 C3 121.93(9) . . . . ?
Si5 Ce1 Si2 C3 25.84(8) . . . . ?
Si4 Ce1 Si2 C3 -150.47(8) . . . . ?
Si8 Ce1 Si2 C3 148.22(8) . . . . ?
Si1 Ce1 Si2 C3 -71.49(8) . . . . ?
N2 Ce1 Si2 C4 22.76(8) . . . . ?
N1 Ce1 Si2 C4 87.25(10) . . . . ?
N3 Ce1 Si2 C4 162.56(8) . . . . ?
N4 Ce1 Si2 C4 -79.61(8) . . . . ?
Si5 Ce1 Si2 C4 -175.70(8) . . . . ?
Si4 Ce1 Si2 C4 7.99(8) . . . . ?
Si8 Ce1 Si2 C4 -53.32(8) . . . . ?
Si1 Ce1 Si2 C4 86.97(8) . . . . ?
N1 Ce1 N2 Si4 166.96(5) . . . . ?
N3 Ce1 N2 Si4 53.73(6) . . . . ?
N4 Ce1 N2 Si4 -69.31(6) . . . . ?
Si5 Ce1 N2 Si4 44.03(8) . . . . ?
Si8 Ce1 N2 Si4 -98.59(5) . . . . ?
Si1 Ce1 N2 Si4 143.74(5) . . . . ?
Si2 Ce1 N2 Si4 -168.80(3) . . . . ?
N1 Ce1 N2 Si3 -12.61(8) . . . . ?
N3 Ce1 N2 Si3 -125.84(7) . . . . ?
N4 Ce1 N2 Si3 111.12(7) . . . . ?
Si5 Ce1 N2 Si3 -135.54(5) . . . . ?
Si4 Ce1 N2 Si3 -179.57(12) . . . . ?
Si8 Ce1 N2 Si3 81.84(7) . . . . ?
Si1 Ce1 N2 Si3 -35.83(7) . . . . ?
Si2 Ce1 N2 Si3 11.63(9) . . . . ?
Si4 N2 Si3 C5 -72.59(12) . . . . ?
Ce1 N2 Si3 C5 106.88(10) . . . . ?
Si4 N2 Si3 C6 51.30(11) . . . . ?
Ce1 N2 Si3 C6 -129.23(9) . . . . ?
N2 Ce1 N3 Si5 -169.14(5) . . . . ?
N1 Ce1 N3 Si5 69.27(6) . . . . ?
N4 Ce1 N3 Si5 -56.12(7) . . . . ?
Si4 Ce1 N3 Si5 -144.53(5) . . . . ?
Si8 Ce1 N3 Si5 -43.98(8) . . . . ?
Si1 Ce1 N3 Si5 97.49(5) . . . . ?
Si2 Ce1 N3 Si5 45.20(6) . . . . ?
N2 Ce1 N3 Si6 12.73(9) . . . . ?
N1 Ce1 N3 Si6 -108.86(7) . . . . ?
N4 Ce1 N3 Si6 125.74(7) . . . . ?
Si5 Ce1 N3 Si6 -178.13(12) . . . . ?
Si4 Ce1 N3 Si6 37.34(7) . . . . ?
Si8 Ce1 N3 Si6 137.88(5) . . . . ?
Si1 Ce1 N3 Si6 -80.64(7) . . . . ?
Si2 Ce1 N3 Si6 -132.94(6) . . . . ?
Si3 N2 Si4 C8 -72.82(12) . . . . ?
Ce1 N2 Si4 C8 107.62(9) . . . . ?
Si3 N2 Si4 C7 54.38(12) . . . . ?
Ce1 N2 Si4 C7 -125.18(9) . . . . ?
Si3 N2 Si4 Ce1 179.55(12) . . . . ?
N1 Ce1 Si4 N2 -20.41(8) . . . . ?
N3 Ce1 Si4 N2 -132.42(6) . . . . ?
N4 Ce1 Si4 N2 112.02(6) . . . . ?
Si5 Ce1 Si4 N2 -152.55(6) . . . . ?
Si8 Ce1 Si4 N2 81.55(6) . . . . ?
Si1 Ce1 Si4 N2 -41.96(6) . . . . ?
Si2 Ce1 Si4 N2 23.27(7) . . . . ?
N2 Ce1 Si4 C8 -95.47(9) . . . . ?
N1 Ce1 Si4 C8 -115.87(9) . . . . ?
N3 Ce1 Si4 C8 132.11(8) . . . . ?
N4 Ce1 Si4 C8 16.55(8) . . . . ?
Si5 Ce1 Si4 C8 111.98(8) . . . . ?
Si8 Ce1 Si4 C8 -13.91(8) . . . . ?
Si1 Ce1 Si4 C8 -137.42(8) . . . . ?
Si2 Ce1 Si4 C8 -72.20(8) . . . . ?
N2 Ce1 Si4 C7 81.44(13) . . . . ?
N1 Ce1 Si4 C7 61.04(13) . . . . ?
N3 Ce1 Si4 C7 -50.98(12) . . . . ?
N4 Ce1 Si4 C7 -166.54(12) . . . . ?
Si5 Ce1 Si4 C7 -71.11(12) . . . . ?
Si8 Ce1 Si4 C7 163.00(12) . . . . ?
Si1 Ce1 Si4 C7 39.49(12) . . . . ?
Si2 Ce1 Si4 C7 104.71(12) . . . . ?
N2 Ce1 N4 Si8 -71.59(6) . . . . ?
N1 Ce1 N4 Si8 50.37(7) . . . . ?
N3 Ce1 N4 Si8 166.59(5) . . . . ?
Si5 Ce1 N4 Si8 140.87(5) . . . . ?
Si4 Ce1 N4 Si8 -100.45(5) . . . . ?
Si1 Ce1 N4 Si8 37.19(9) . . . . ?
Si2 Ce1 N4 Si8 56.43(5) . . . . ?
N2 Ce1 N4 Si7 107.06(8) . . . . ?
N1 Ce1 N4 Si7 -130.98(7) . . . . ?
N3 Ce1 N4 Si7 -14.77(9) . . . . ?
Si5 Ce1 N4 Si7 -40.48(7) . . . . ?
Si4 Ce1 N4 Si7 78.19(7) . . . . ?
Si8 Ce1 N4 Si7 178.64(12) . . . . ?
Si1 Ce1 N4 Si7 -144.17(5) . . . . ?
Si2 Ce1 N4 Si7 -124.93(7) . . . . ?
Si6 N3 Si5 C10 66.05(12) . . . . ?
Ce1 N3 Si5 C10 -111.96(8) . . . . ?
Si6 N3 Si5 C9 -62.48(12) . . . . ?
Ce1 N3 Si5 C9 119.51(8) . . . . ?
Si6 N3 Si5 Ce1 178.01(12) . . . . ?
N2 Ce1 Si5 N3 17.23(8) . . . . ?
N1 Ce1 Si5 N3 -112.58(6) . . . . ?
N4 Ce1 Si5 N3 131.18(6) . . . . ?
Si4 Ce1 Si5 N3 41.36(6) . . . . ?
Si8 Ce1 Si5 N3 153.09(6) . . . . ?
Si1 Ce1 Si5 N3 -82.82(6) . . . . ?
Si2 Ce1 Si5 N3 -136.99(6) . . . . ?
N2 Ce1 Si5 C10 110.85(8) . . . . ?
N1 Ce1 Si5 C10 -18.97(7) . . . . ?
N3 Ce1 Si5 C10 93.62(9) . . . . ?
N4 Ce1 Si5 C10 -135.21(7) . . . . ?
Si4 Ce1 Si5 C10 134.98(6) . . . . ?
Si8 Ce1 Si5 C10 -113.30(6) . . . . ?
Si1 Ce1 Si5 C10 10.80(6) . . . . ?
Si2 Ce1 Si5 C10 -43.37(6) . . . . ?
N2 Ce1 Si5 C9 -70.18(10) . . . . ?
N1 Ce1 Si5 C9 160.01(9) . . . . ?
N3 Ce1 Si5 C9 -87.41(10) . . . . ?
N4 Ce1 Si5 C9 43.77(9) . . . . ?
Si4 Ce1 Si5 C9 -46.05(9) . . . . ?
Si8 Ce1 Si5 C9 65.68(9) . . . . ?
Si1 Ce1 Si5 C9 -170.23(9) . . . . ?
Si2 Ce1 Si5 C9 135.60(9) . . . . ?
Si5 N3 Si6 C12 -49.93(11) . . . . ?
Ce1 N3 Si6 C12 127.74(8) . . . . ?
Si5 N3 Si6 C11 73.77(11) . . . . ?
Ce1 N3 Si6 C11 -108.56(9) . . . . ?
Si8 N4 Si7 C13 -77.37(12) . . . . ?
Ce1 N4 Si7 C13 104.28(10) . . . . ?
Si8 N4 Si7 C14 46.38(12) . . . . ?
Ce1 N4 Si7 C14 -131.98(9) . . . . ?
Si7 N4 Si8 C16 -67.54(11) . . . . ?
Ce1 N4 Si8 C16 111.08(8) . . . . ?
Si7 N4 Si8 C15 59.50(11) . . . . ?
Ce1 N4 Si8 C15 -121.89(7) . . . . ?
Si7 N4 Si8 Ce1 -178.61(12) . . . . ?
N2 Ce1 Si8 N4 110.05(7) . . . . ?
N1 Ce1 Si8 N4 -136.14(6) . . . . ?
N3 Ce1 Si8 N4 -21.59(8) . . . . ?
Si5 Ce1 Si8 N4 -46.06(6) . . . . ?
Si4 Ce1 Si8 N4 79.39(6) . . . . ?
Si1 Ce1 Si8 N4 -156.88(6) . . . . ?
Si2 Ce1 Si8 N4 -120.76(6) . . . . ?
N2 Ce1 Si8 C16 15.55(7) . . . . ?
N1 Ce1 Si8 C16 129.35(7) . . . . ?
N3 Ce1 Si8 C16 -116.10(8) . . . . ?
N4 Ce1 Si8 C16 -94.51(9) . . . . ?
Si5 Ce1 Si8 C16 -140.57(6) . . . . ?
Si4 Ce1 Si8 C16 -15.12(6) . . . . ?
Si1 Ce1 Si8 C16 108.61(6) . . . . ?
Si2 Ce1 Si8 C16 144.73(6) . . . . ?
N2 Ce1 Si8 C15 -164.91(9) . . . . ?
N1 Ce1 Si8 C15 -51.11(9) . . . . ?
N3 Ce1 Si8 C15 63.44(10) . . . . ?
N4 Ce1 Si8 C15 85.03(10) . . . . ?
Si5 Ce1 Si8 C15 38.98(8) . . . . ?
Si4 Ce1 Si8 C15 164.42(8) . . . . ?
Si1 Ce1 Si8 C15 -71.85(8) . . . . ?
Si2 Ce1 Si8 C15 -35.73(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        31.58
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.544
_refine_diff_density_min         -0.562
_refine_diff_density_rms         0.102


data_Compound3
_database_code_depnum_ccdc_archive 'CCDC 904596'
#TrackingRef 'Compound3.cif'

#data_ac75

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H112 Ce5 Cl7 N8 Si16'
_chemical_formula_sum            'C32 H112 Ce5 Cl7 N8 Si16'
_chemical_formula_weight         2007.49

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'
Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_space_group_name_HALL  '-C 2yc'

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

_cell_length_a                   17.2810(6)
_cell_length_b                   25.5225(9)
_cell_length_c                   19.8095(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.2028(4)
_cell_angle_gamma                90.00
_cell_volume                     8598.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9868
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      30.26

_exptl_crystal_description       'melted prism'
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3972
_exptl_absorpt_coefficient_mu    3.061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3396
_exptl_absorpt_correction_T_max  0.5796
_exptl_absorpt_process_details   
;
SADABS version 2008/1, G.M Sheldrick, University of
G\"ttingen, Germany, 2008.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS Rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            71792
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0186
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.90
_diffrn_reflns_theta_max         30.25
_reflns_number_total             12787
_reflns_number_gt                11765
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       
;
Bruker (2008). APEX2, version 2008.5-0, Bruker AXS Inc., Madison,
Wisconsin, USA.
;
_computing_cell_refinement       
;
Bruker (2008). SAINT, version 7.56A, Bruker AXS Inc., Madison,
Wisconsin, USA.
;
_computing_data_reduction        
;
Bruker (2008). SAINT, version 7.56A, Bruker AXS Inc., Madison,
Wisconsin, USA.
;
_computing_structure_solution    
;
Sheldrick, G. M. (2008). Acta Crystallographica, A64, 112-122.
;
_computing_structure_refinement  
;
Sheldrick, G. M. (2008). Acta Crystallographica, A64, 112-122.
;
_computing_molecular_graphics    
;
Brandenburg, K. (2009). DIAMOND. Version 3.2c. Crystal Impact GbR, Bonn,
Germany.
;
_computing_publication_material  
;
Bruker AXS (2008). SHELXTL. Version 2008/1. Bruker AXS Inc., Madison,
Wisconsin, USA.
;

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0287P)^2^+16.6408P] where P=(Fo^2^+2Fc^2^)/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         12787
_refine_ls_number_parameters     324
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0241
_refine_ls_R_factor_gt           0.0210
_refine_ls_wR_factor_ref         0.0549
_refine_ls_wR_factor_gt          0.0532
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.004
_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
Ce1 Ce 0.5000 0.299885(5) 0.2500 0.01863(3) Uani 1 2 d S . .
Ce2 Ce 0.564685(5) 0.147054(4) 0.394558(5) 0.01276(3) Uani 1 1 d . . .
Ce3 Ce 0.337517(5) 0.154899(4) 0.277618(5) 0.01405(3) Uani 1 1 d . . .
Cl1 Cl 0.62773(2) 0.232817(16) 0.32063(2) 0.01633(7) Uani 1 1 d . . .
Cl2 Cl 0.44343(2) 0.226599(16) 0.35902(2) 0.01753(8) Uani 1 1 d . . .
Cl3 Cl 0.41753(2) 0.094657(18) 0.38964(2) 0.02029(8) Uani 1 1 d . . .
Cl4 Cl 0.5000 0.12441(2) 0.2500 0.01402(10) Uani 1 2 d S . .
Si1 Si 0.37517(4) 0.38769(3) 0.27844(4) 0.03406(14) Uani 1 1 d . . .
HI1 H 0.3624 0.3625 0.2107 0.041 Uiso 1 1 calc R . .
Si2 Si 0.51214(5) 0.36607(3) 0.40220(3) 0.03445(15) Uani 1 1 d . . .
HI2 H 0.5766 0.3279 0.4065 0.041 Uiso 1 1 calc R . .
Si3 Si 0.59773(3) 0.18985(2) 0.54647(3) 0.02054(10) Uani 1 1 d . . .
HI3 H 0.6058 0.2262 0.4906 0.025 Uiso 1 1 calc R . .
Si4 Si 0.58807(4) 0.06969(2) 0.54917(3) 0.02310(11) Uani 1 1 d . . .
HI4 H 0.5725 0.0294 0.4955 0.028 Uiso 1 1 calc R . .
Si5 Si 0.77260(3) 0.13364(2) 0.37048(3) 0.01695(9) Uani 1 1 d . . .
HI5 H 0.7832 0.1765 0.3235 0.020 Uiso 1 1 calc R . .
Si6 Si 0.65206(3) 0.044480(19) 0.34742(3) 0.01708(9) Uani 1 1 d . . .
HI6 H 0.5763 0.0476 0.3711 0.020 Uiso 1 1 calc R . .
Si7 Si 0.19353(4) 0.09956(3) 0.35584(4) 0.03618(15) Uani 1 1 d . . .
HI7 H 0.2284 0.0565 0.3221 0.043 Uiso 1 1 calc R . .
Si8 Si 0.20229(4) 0.21992(3) 0.32510(3) 0.03294(15) Uani 1 1 d . . .
HI8 H 0.2596 0.2459 0.2896 0.040 Uiso 1 1 calc R . .
N1 N 0.45813(13) 0.36009(7) 0.32244(10) 0.0304(4) Uani 1 1 d . . .
N2 N 0.58960(10) 0.12950(6) 0.50923(8) 0.0185(3) Uani 1 1 d . . .
N3 N 0.68011(9) 0.10884(6) 0.33924(8) 0.0155(3) Uani 1 1 d . . .
N4 N 0.22914(10) 0.15608(8) 0.32883(9) 0.0269(4) Uani 1 1 d . . .
C1 C 0.2838(2) 0.37489(13) 0.3135(2) 0.0576(8) Uani 1 1 d . . .
H1A H 0.2783 0.3371 0.3203 0.086 Uiso 1 1 calc R . .
H1B H 0.2382 0.3877 0.2811 0.086 Uiso 1 1 calc R . .
H1C H 0.2868 0.3931 0.3574 0.086 Uiso 1 1 calc R . .
C2 C 0.38211(19) 0.45881(10) 0.26118(16) 0.0483(7) Uani 1 1 d . . .
H2A H 0.4286 0.4656 0.2405 0.072 Uiso 1 1 calc R . .
H2B H 0.3864 0.4783 0.3043 0.072 Uiso 1 1 calc R . .
H2C H 0.3349 0.4702 0.2296 0.072 Uiso 1 1 calc R . .
C3 C 0.4578(2) 0.34928(13) 0.47243(16) 0.0536(8) Uani 1 1 d . . .
H3A H 0.4298 0.3161 0.4618 0.080 Uiso 1 1 calc R . .
H3B H 0.4199 0.3771 0.4768 0.080 Uiso 1 1 calc R . .
H3C H 0.4951 0.3458 0.5157 0.080 Uiso 1 1 calc R . .
C4 C 0.5595(2) 0.43172(12) 0.42034(16) 0.0560(9) Uani 1 1 d . . .
H4A H 0.5900 0.4402 0.3846 0.084 Uiso 1 1 calc R . .
H4B H 0.5944 0.4309 0.4651 0.084 Uiso 1 1 calc R . .
H4C H 0.5188 0.4584 0.4209 0.084 Uiso 1 1 calc R . .
C5 C 0.50952(16) 0.21292(12) 0.57943(14) 0.0406(6) Uani 1 1 d . . .
H5A H 0.4626 0.2073 0.5445 0.061 Uiso 1 1 calc R . .
H5B H 0.5149 0.2504 0.5902 0.061 Uiso 1 1 calc R . .
H5C H 0.5045 0.1933 0.6210 0.061 Uiso 1 1 calc R . .
C6 C 0.68721(14) 0.20079(9) 0.61257(11) 0.0302(5) Uani 1 1 d . . .
H6A H 0.7341 0.1917 0.5935 0.045 Uiso 1 1 calc R . .
H6B H 0.6848 0.1787 0.6526 0.045 Uiso 1 1 calc R . .
H6C H 0.6899 0.2377 0.6264 0.045 Uiso 1 1 calc R . .
C7 C 0.50926(17) 0.06518(11) 0.60201(13) 0.0395(6) Uani 1 1 d . . .
H7A H 0.4586 0.0744 0.5738 0.059 Uiso 1 1 calc R . .
H7B H 0.5209 0.0894 0.6408 0.059 Uiso 1 1 calc R . .
H7C H 0.5068 0.0293 0.6192 0.059 Uiso 1 1 calc R . .
C8 C 0.68495(15) 0.05426(10) 0.60416(12) 0.0357(5) Uani 1 1 d . . .
H8A H 0.7273 0.0605 0.5781 0.054 Uiso 1 1 calc R . .
H8B H 0.6857 0.0174 0.6183 0.054 Uiso 1 1 calc R . .
H8C H 0.6927 0.0768 0.6449 0.054 Uiso 1 1 calc R . .
C9 C 0.85714(12) 0.08872(9) 0.36825(12) 0.0299(4) Uani 1 1 d . . .
H9A H 0.8487 0.0695 0.3247 0.045 Uiso 1 1 calc R . .
H9B H 0.8615 0.0639 0.4064 0.045 Uiso 1 1 calc R . .
H9C H 0.9057 0.1092 0.3724 0.045 Uiso 1 1 calc R . .
C10 C 0.78077(12) 0.16524(8) 0.45614(10) 0.0234(4) Uani 1 1 d . . .
H10A H 0.7424 0.1938 0.4536 0.035 Uiso 1 1 calc R . .
H10B H 0.8339 0.1794 0.4701 0.035 Uiso 1 1 calc R . .
H10C H 0.7703 0.1392 0.4898 0.035 Uiso 1 1 calc R . .
C11 C 0.71648(14) 0.00514(8) 0.41397(11) 0.0288(4) Uani 1 1 d . . .
H11A H 0.7325 0.0266 0.4551 0.043 Uiso 1 1 calc R . .
H11B H 0.7632 -0.0062 0.3962 0.043 Uiso 1 1 calc R . .
H11C H 0.6876 -0.0257 0.4256 0.043 Uiso 1 1 calc R . .
C12 C 0.63123(14) 0.00671(8) 0.26630(11) 0.0280(4) Uani 1 1 d . . .
H12A H 0.5957 0.0269 0.2318 0.042 Uiso 1 1 calc R . .
H12B H 0.6065 -0.0267 0.2744 0.042 Uiso 1 1 calc R . .
H12C H 0.6805 0.0000 0.2498 0.042 Uiso 1 1 calc R . .
C13 C 0.22210(19) 0.08926(18) 0.44944(18) 0.0715(13) Uani 1 1 d . . .
H13A H 0.2794 0.0862 0.4614 0.107 Uiso 1 1 calc R . .
H13B H 0.1976 0.0571 0.4625 0.107 Uiso 1 1 calc R . .
H13C H 0.2044 0.1191 0.4739 0.107 Uiso 1 1 calc R . .
C14 C 0.08501(16) 0.09359(16) 0.3305(2) 0.0656(10) Uani 1 1 d . . .
H14A H 0.0701 0.0983 0.2809 0.098 Uiso 1 1 calc R . .
H14B H 0.0594 0.1205 0.3542 0.098 Uiso 1 1 calc R . .
H14C H 0.0683 0.0588 0.3433 0.098 Uiso 1 1 calc R . .
C15 C 0.2123(2) 0.25406(15) 0.40890(15) 0.0583(9) Uani 1 1 d . . .
H15A H 0.2661 0.2497 0.4342 0.087 Uiso 1 1 calc R . .
H15B H 0.1751 0.2391 0.4356 0.087 Uiso 1 1 calc R . .
H15C H 0.2012 0.2914 0.4012 0.087 Uiso 1 1 calc R . .
C16 C 0.10525(16) 0.23529(15) 0.27209(15) 0.0541(9) Uani 1 1 d . . .
H16A H 0.0988 0.2153 0.2292 0.081 Uiso 1 1 calc R . .
H16B H 0.1023 0.2729 0.2617 0.081 Uiso 1 1 calc R . .
H16C H 0.0634 0.2258 0.2974 0.081 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ce1 0.02097(7) 0.01170(6) 0.02267(7) 0.000 0.00236(5) 0.000
Ce2 0.01350(5) 0.01438(5) 0.01032(4) -0.00056(3) 0.00188(3) -0.00111(3)
Ce3 0.01211(4) 0.01825(5) 0.01190(5) 0.00051(3) 0.00241(3) 0.00071(3)
Cl1 0.01696(17) 0.01520(17) 0.01689(17) -0.00061(14) 0.00313(14) -0.00199(14)
Cl2 0.01773(18) 0.01780(18) 0.01710(18) -0.00240(14) 0.00317(14) 0.00113(14)
Cl3 0.01366(17) 0.0241(2) 0.0216(2) -0.00180(16) -0.00111(14) -0.00086(15)
Cl4 0.0129(2) 0.0172(2) 0.0117(2) 0.000 0.00155(18) 0.000
Si1 0.0391(3) 0.0221(3) 0.0389(4) -0.0079(2) 0.0013(3) 0.0095(2)
Si2 0.0510(4) 0.0255(3) 0.0249(3) -0.0045(2) 0.0015(3) 0.0080(3)
Si3 0.0247(2) 0.0233(2) 0.0136(2) -0.00354(19) 0.00338(18) -0.0032(2)
Si4 0.0313(3) 0.0223(2) 0.0153(2) 0.00247(19) 0.0031(2) -0.0078(2)
Si5 0.0137(2) 0.0216(2) 0.0147(2) -0.00213(18) 0.00032(17) 0.00006(17)
Si6 0.0204(2) 0.0143(2) 0.0159(2) 0.00035(17) 0.00180(18) 0.00167(17)
Si7 0.0186(3) 0.0457(4) 0.0457(4) 0.0086(3) 0.0095(3) 0.0006(3)
Si8 0.0268(3) 0.0530(4) 0.0215(3) 0.0084(3) 0.0109(2) 0.0197(3)
N1 0.0431(11) 0.0190(8) 0.0276(9) -0.0033(7) 0.0024(8) 0.0090(7)
N2 0.0219(7) 0.0206(7) 0.0126(6) 0.0008(5) 0.0020(5) -0.0047(6)
N3 0.0139(6) 0.0161(6) 0.0158(7) 0.0000(5) 0.0007(5) 0.0001(5)
N4 0.0158(7) 0.0457(11) 0.0208(8) 0.0113(7) 0.0075(6) 0.0059(7)
C1 0.0534(18) 0.0449(17) 0.078(2) -0.0119(16) 0.0211(17) 0.0111(14)
C2 0.0591(18) 0.0254(11) 0.0539(17) -0.0028(11) -0.0081(14) 0.0177(11)
C3 0.072(2) 0.0578(19) 0.0331(14) -0.0093(12) 0.0164(14) 0.0064(16)
C4 0.086(2) 0.0363(14) 0.0392(15) -0.0097(12) -0.0081(15) -0.0066(15)
C5 0.0401(13) 0.0518(15) 0.0323(12) -0.0096(11) 0.0133(10) 0.0072(11)
C6 0.0367(12) 0.0310(11) 0.0207(9) -0.0059(8) -0.0013(8) -0.0097(9)
C7 0.0487(15) 0.0411(13) 0.0321(12) 0.0050(10) 0.0164(11) -0.0157(11)
C8 0.0429(13) 0.0358(12) 0.0255(10) 0.0098(9) -0.0019(9) 0.0009(10)
C9 0.0184(9) 0.0359(11) 0.0342(11) -0.0074(9) 0.0015(8) 0.0057(8)
C10 0.0237(9) 0.0290(10) 0.0165(8) -0.0045(7) 0.0006(7) -0.0034(7)
C11 0.0339(11) 0.0237(9) 0.0267(10) 0.0065(8) -0.0002(8) 0.0068(8)
C12 0.0409(12) 0.0182(9) 0.0235(10) -0.0047(7) 0.0016(8) 0.0014(8)
C13 0.0402(16) 0.116(3) 0.064(2) 0.062(2) 0.0246(15) 0.0213(18)
C14 0.0222(12) 0.074(2) 0.100(3) 0.005(2) 0.0097(15) -0.0086(13)
C15 0.067(2) 0.079(2) 0.0332(14) -0.0052(14) 0.0216(14) 0.0309(18)
C16 0.0342(13) 0.095(2) 0.0358(13) 0.0222(15) 0.0125(11) 0.0360(15)

_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
Ce1 N1 2.3047(19) 2_655 ?
Ce1 N1 2.3047(19) . ?
Ce1 Cl1 2.9438(4) . ?
Ce1 Cl1 2.9438(4) 2_655 ?
Ce1 Cl2 3.1410(4) 2_655 ?
Ce1 Cl2 3.1411(4) . ?
Ce1 Si1 3.2284(6) . ?
Ce1 Si1 3.2284(6) 2_655 ?
Ce1 Si2 3.4297(7) 2_655 ?
Ce1 Si2 3.4297(7) . ?
Ce2 N2 2.2803(15) . ?
Ce2 N3 2.6278(15) . ?
Ce2 Cl3 2.8595(5) . ?
Ce2 Cl2 2.9129(4) . ?
Ce2 Cl4 2.94105(17) . ?
Ce2 Cl1 2.9476(4) . ?
Ce2 Si3 3.1570(5) . ?
Ce2 Si6 3.2412(5) . ?
Ce2 Ce3 4.07082(17) 2_655 ?
Ce3 N4 2.2827(17) . ?
Ce3 N3 2.5659(15) 2_655 ?
Ce3 Cl3 2.8483(5) . ?
Ce3 Cl2 2.8729(4) . ?
Ce3 Cl1 2.9185(4) 2_655 ?
Ce3 Cl4 3.05500(19) . ?
Ce3 Si8 3.1429(6) . ?
Ce3 Si5 3.2472(5) 2_655 ?
Ce3 Si7 3.4573(7) . ?
Ce3 Ce2 4.07091(17) 2_655 ?
Cl1 Ce3 2.9185(4) 2_655 ?
Cl4 Ce2 2.94112(17) 2_655 ?
Cl4 Ce3 3.05501(19) 2_655 ?
Si1 N1 1.694(2) . ?
Si1 C2 1.855(3) . ?
Si1 C1 1.863(3) . ?
Si1 HI1 1.4700 . ?
Si2 N1 1.694(2) . ?
Si2 C3 1.861(3) . ?
Si2 C4 1.871(3) . ?
Si2 HI2 1.4700 . ?
Si3 N2 1.7029(17) . ?
Si3 C5 1.857(3) . ?
Si3 C6 1.862(2) . ?
Si3 HI3 1.4700 . ?
Si4 N2 1.7216(17) . ?
Si4 C7 1.862(3) . ?
Si4 C8 1.871(2) . ?
Si4 HI4 1.4700 . ?
Si5 N3 1.7285(15) . ?
Si5 C10 1.861(2) . ?
Si5 C9 1.864(2) . ?
Si5 Ce3 3.2472(5) 2_655 ?
Si5 HI5 1.4700 . ?
Si6 N3 1.7283(16) . ?
Si6 C12 1.854(2) . ?
Si6 C11 1.862(2) . ?
Si6 HI6 1.4700 . ?
Si7 N4 1.692(2) . ?
Si7 C13 1.851(3) . ?
Si7 C14 1.860(3) . ?
Si7 HI7 1.4700 . ?
Si8 N4 1.692(2) . ?
Si8 C15 1.856(3) . ?
Si8 C16 1.856(3) . ?
Si8 HI8 1.4700 . ?
N3 Ce3 2.5659(15) 2_655 ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
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 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
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 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 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
N1 Ce1 N1 96.37(10) 2_655 . ?
N1 Ce1 Cl1 113.08(5) 2_655 . ?
N1 Ce1 Cl1 112.55(5) . . ?
N1 Ce1 Cl1 112.55(5) 2_655 2_655 ?
N1 Ce1 Cl1 113.08(5) . 2_655 ?
Cl1 Ce1 Cl1 108.892(16) . 2_655 ?
N1 Ce1 Cl2 78.39(5) 2_655 2_655 ?
N1 Ce1 Cl2 174.49(5) . 2_655 ?
Cl1 Ce1 Cl2 71.463(12) . 2_655 ?
Cl1 Ce1 Cl2 68.001(11) 2_655 2_655 ?
N1 Ce1 Cl2 174.49(5) 2_655 . ?
N1 Ce1 Cl2 78.39(5) . . ?
Cl1 Ce1 Cl2 68.002(11) . . ?
Cl1 Ce1 Cl2 71.463(12) 2_655 . ?
Cl2 Ce1 Cl2 106.907(16) 2_655 . ?
N1 Ce1 Si1 86.50(6) 2_655 . ?
N1 Ce1 Si1 30.16(5) . . ?
Cl1 Ce1 Si1 142.056(15) . . ?
Cl1 Ce1 Si1 91.067(15) 2_655 . ?
Cl2 Ce1 Si1 146.329(15) 2_655 . ?
Cl2 Ce1 Si1 89.681(16) . . ?
N1 Ce1 Si1 30.16(5) 2_655 2_655 ?
N1 Ce1 Si1 86.50(6) . 2_655 ?
Cl1 Ce1 Si1 91.068(15) . 2_655 ?
Cl1 Ce1 Si1 142.053(15) 2_655 2_655 ?
Cl2 Ce1 Si1 89.680(16) 2_655 2_655 ?
Cl2 Ce1 Si1 146.331(15) . 2_655 ?
Si1 Ce1 Si1 92.09(3) . 2_655 ?
N1 Ce1 Si2 26.02(5) 2_655 2_655 ?
N1 Ce1 Si2 103.99(5) . 2_655 ?
Cl1 Ce1 Si2 128.915(16) . 2_655 ?
Cl1 Ce1 Si2 86.826(14) 2_655 2_655 ?
Cl2 Ce1 Si2 70.544(15) 2_655 2_655 ?
Cl2 Ce1 Si2 156.878(15) . 2_655 ?
Si1 Ce1 Si2 82.691(19) . 2_655 ?
Si1 Ce1 Si2 56.181(17) 2_655 2_655 ?
N1 Ce1 Si2 104.00(5) 2_655 . ?
N1 Ce1 Si2 26.02(5) . . ?
Cl1 Ce1 Si2 86.826(14) . . ?
Cl1 Ce1 Si2 128.915(16) 2_655 . ?
Cl2 Ce1 Si2 156.878(15) 2_655 . ?
Cl2 Ce1 Si2 70.543(15) . . ?
Si1 Ce1 Si2 56.183(17) . . ?
Si1 Ce1 Si2 82.693(19) 2_655 . ?
Si2 Ce1 Si2 120.99(2) 2_655 . ?
N2 Ce2 N3 108.61(5) . . ?
N2 Ce2 Cl3 87.25(4) . . ?
N3 Ce2 Cl3 123.25(3) . . ?
N2 Ce2 Cl2 112.24(4) . . ?
N3 Ce2 Cl2 136.43(3) . . ?
Cl3 Ce2 Cl2 73.765(13) . . ?
N2 Ce2 Cl4 154.62(4) . . ?
N3 Ce2 Cl4 72.94(3) . . ?
Cl3 Ce2 Cl4 72.097(10) . . ?
Cl2 Ce2 Cl4 76.619(12) . . ?
N2 Ce2 Cl1 128.29(4) . . ?
N3 Ce2 Cl1 72.17(3) . . ?
Cl3 Ce2 Cl1 137.316(13) . . ?
Cl2 Ce2 Cl1 71.079(12) . . ?
Cl4 Ce2 Cl1 76.840(12) . . ?
N2 Ce2 Si3 31.57(4) . . ?
N3 Ce2 Si3 120.23(3) . . ?
Cl3 Ce2 Si3 101.767(14) . . ?
Cl2 Ce2 Si3 89.435(14) . . ?
Cl4 Ce2 Si3 165.813(13) . . ?
Cl1 Ce2 Si3 101.321(13) . . ?
N2 Ce2 Si6 96.48(4) . . ?
N3 Ce2 Si6 32.14(3) . . ?
Cl3 Ce2 Si6 93.973(13) . . ?
Cl2 Ce2 Si6 147.692(12) . . ?
Cl4 Ce2 Si6 71.148(13) . . ?
Cl1 Ce2 Si6 102.980(13) . . ?
Si3 Ce2 Si6 122.634(14) . . ?
N2 Ce2 Ce3 144.21(4) . 2_655 ?
N3 Ce2 Ce3 37.85(3) . 2_655 ?
Cl3 Ce2 Ce3 119.545(10) . 2_655 ?
Cl2 Ce2 Ce3 98.677(9) . 2_655 ?
Cl4 Ce2 Ce3 48.430(4) . 2_655 ?
Cl1 Ce2 Ce3 45.761(8) . 2_655 ?
Si3 Ce2 Ce3 138.574(11) . 2_655 ?
Si6 Ce2 Ce3 60.961(9) . 2_655 ?
N4 Ce3 N3 115.55(6) . 2_655 ?
N4 Ce3 Cl3 89.09(4) . . ?
N3 Ce3 Cl3 114.79(3) 2_655 . ?
N4 Ce3 Cl2 103.50(5) . . ?
N3 Ce3 Cl2 139.49(3) 2_655 . ?
Cl3 Ce3 Cl2 74.540(13) . . ?
N4 Ce3 Cl1 124.70(5) . 2_655 ?
N3 Ce3 Cl1 73.51(3) 2_655 2_655 ?
Cl3 Ce3 Cl1 139.334(13) . 2_655 ?
Cl2 Ce3 Cl1 75.782(12) . 2_655 ?
N4 Ce3 Cl4 159.29(4) . . ?
N3 Ce3 Cl4 71.81(3) 2_655 . ?
Cl3 Ce3 Cl4 70.566(11) . . ?
Cl2 Ce3 Cl4 75.425(12) . . ?
Cl1 Ce3 Cl4 75.516(12) 2_655 . ?
N4 Ce3 Si8 31.57(5) . . ?
N3 Ce3 Si8 122.42(4) 2_655 . ?
Cl3 Ce3 Si8 109.632(15) . . ?
Cl2 Ce3 Si8 85.944(17) . . ?
Cl1 Ce3 Si8 95.251(15) 2_655 . ?
Cl4 Ce3 Si8 160.692(18) . . ?
N4 Ce3 Si5 90.46(5) . 2_655 ?
N3 Ce3 Si5 31.94(3) 2_655 2_655 ?
Cl3 Ce3 Si5 137.698(13) . 2_655 ?
Cl2 Ce3 Si5 145.757(13) . 2_655 ?
Cl1 Ce3 Si5 70.623(13) 2_655 2_655 ?
Cl4 Ce3 Si5 101.875(10) . 2_655 ?
Si8 Ce3 Si5 90.616(16) . 2_655 ?
N4 Ce3 Si7 25.03(5) . . ?
N3 Ce3 Si7 103.73(4) 2_655 . ?
Cl3 Ce3 Si7 73.676(15) . . ?
Cl2 Ce3 Si7 116.498(16) . . ?
Cl1 Ce3 Si7 145.761(14) 2_655 . ?
Cl4 Ce3 Si7 137.181(16) . . ?
Si8 Ce3 Si7 56.582(19) . . ?
Si5 Ce3 Si7 89.059(16) 2_655 . ?
N4 Ce3 Ce2 150.24(5) . 2_655 ?
N3 Ce3 Ce2 38.94(3) 2_655 2_655 ?
Cl3 Ce3 Ce2 114.198(10) . 2_655 ?
Cl2 Ce3 Ce2 100.593(9) . 2_655 ?
Cl1 Ce3 Ce2 46.350(8) 2_655 2_655 ?
Cl4 Ce3 Ce2 46.075(3) . 2_655 ?
Si8 Ce3 Ce2 135.867(12) . 2_655 ?
Si5 Ce3 Ce2 59.911(10) 2_655 2_655 ?
Si7 Ce3 Ce2 142.561(14) . 2_655 ?
Ce3 Cl1 Ce1 107.746(13) 2_655 . ?
Ce3 Cl1 Ce2 87.888(11) 2_655 . ?
Ce1 Cl1 Ce2 110.850(14) . . ?
Ce3 Cl2 Ce2 92.934(12) . . ?
Ce3 Cl2 Ce1 103.786(13) . . ?
Ce2 Cl2 Ce1 106.442(13) . . ?
Ce3 Cl3 Ce2 94.599(14) . . ?
Ce2 Cl4 Ce2 157.34(2) . 2_655 ?
Ce2 Cl4 Ce3 88.766(6) . . ?
Ce2 Cl4 Ce3 85.497(5) 2_655 . ?
Ce2 Cl4 Ce3 85.496(5) . 2_655 ?
Ce2 Cl4 Ce3 88.764(6) 2_655 2_655 ?
Ce3 Cl4 Ce3 150.49(2) . 2_655 ?
N1 Si1 C2 115.17(12) . . ?
N1 Si1 C1 115.56(15) . . ?
C2 Si1 C1 109.08(15) . . ?
C2 Si1 Ce1 125.46(11) . . ?
C1 Si1 Ce1 125.46(10) . . ?
N1 Si1 HI1 105.3 . . ?
C2 Si1 HI1 105.3 . . ?
C1 Si1 HI1 105.3 . . ?
Ce1 Si1 HI1 62.2 . . ?
N1 Si2 C3 114.15(14) . . ?
N1 Si2 C4 114.19(12) . . ?
C3 Si2 C4 108.89(15) . . ?
C3 Si2 Ce1 125.69(11) . . ?
C4 Si2 Ce1 124.50(11) . . ?
N1 Si2 HI2 106.3 . . ?
C3 Si2 HI2 106.3 . . ?
C4 Si2 HI2 106.3 . . ?
Ce1 Si2 HI2 69.7 . . ?
N2 Si3 C5 115.42(11) . . ?
N2 Si3 C6 115.78(10) . . ?
C5 Si3 C6 109.66(12) . . ?
C5 Si3 Ce2 115.06(9) . . ?
C6 Si3 Ce2 135.22(8) . . ?
N2 Si3 HI3 104.9 . . ?
C5 Si3 HI3 104.9 . . ?
C6 Si3 HI3 104.9 . . ?
Ce2 Si3 HI3 61.7 . . ?
N2 Si4 C7 112.67(11) . . ?
N2 Si4 C8 111.67(10) . . ?
C7 Si4 C8 109.14(12) . . ?
N2 Si4 HI4 107.7 . . ?
C7 Si4 HI4 107.7 . . ?
C8 Si4 HI4 107.7 . . ?
N3 Si5 C10 113.64(9) . . ?
N3 Si5 C9 116.44(9) . . ?
C10 Si5 C9 110.79(10) . . ?
N3 Si5 Ce3 51.76(5) . 2_655 ?
C10 Si5 Ce3 133.54(7) . 2_655 ?
C9 Si5 Ce3 114.69(7) . 2_655 ?
N3 Si5 HI5 104.9 . . ?
C10 Si5 HI5 104.9 . . ?
C9 Si5 HI5 104.9 . . ?
Ce3 Si5 HI5 54.7 2_655 . ?
N3 Si6 C12 115.32(9) . . ?
N3 Si6 C11 115.88(9) . . ?
C12 Si6 C11 109.47(10) . . ?
N3 Si6 Ce2 53.99(5) . . ?
C12 Si6 Ce2 129.87(7) . . ?
C11 Si6 Ce2 118.83(8) . . ?
N3 Si6 HI6 105.0 . . ?
C12 Si6 HI6 105.0 . . ?
C11 Si6 HI6 105.0 . . ?
Ce2 Si6 HI6 51.4 . . ?
N4 Si7 C13 112.99(16) . . ?
N4 Si7 C14 112.99(14) . . ?
C13 Si7 C14 109.60(17) . . ?
C13 Si7 Ce3 114.93(11) . . ?
C14 Si7 Ce3 133.17(13) . . ?
N4 Si7 HI7 107.0 . . ?
C13 Si7 HI7 107.0 . . ?
C14 Si7 HI7 107.0 . . ?
Ce3 Si7 HI7 73.5 . . ?
N4 Si8 C15 115.57(13) . . ?
N4 Si8 C16 116.21(15) . . ?
C15 Si8 C16 109.81(15) . . ?
C15 Si8 Ce3 123.98(11) . . ?
C16 Si8 Ce3 125.98(10) . . ?
N4 Si8 HI8 104.6 . . ?
C15 Si8 HI8 104.6 . . ?
C16 Si8 HI8 104.6 . . ?
Ce3 Si8 HI8 59.7 . . ?
Si1 N1 Si2 135.98(12) . . ?
Si1 N1 Ce1 106.70(9) . . ?
Si2 N1 Ce1 117.32(10) . . ?
Si3 N2 Si4 127.56(9) . . ?
Si3 N2 Ce2 103.91(8) . . ?
Si4 N2 Ce2 128.06(8) . . ?
Si6 N3 Si5 124.85(9) . . ?
Si6 N3 Ce3 121.97(7) . 2_655 ?
Si5 N3 Ce3 96.30(7) . 2_655 ?
Si6 N3 Ce2 93.87(6) . . ?
Si5 N3 Ce2 115.90(7) . . ?
Ce3 N3 Ce2 103.21(5) 2_655 . ?
Si7 N4 Si8 136.26(11) . . ?
Si7 N4 Ce3 120.16(10) . . ?
Si8 N4 Ce3 103.50(9) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si2 C4 H4A 109.5 . . ?
Si2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si3 C5 H5A 109.5 . . ?
Si3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si3 C6 H6A 109.5 . . ?
Si3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si4 C7 H7A 109.5 . . ?
Si4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si4 C8 H8A 109.5 . . ?
Si4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si5 C9 H9A 109.5 . . ?
Si5 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si5 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si5 C10 H10A 109.5 . . ?
Si5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si6 C11 H11A 109.5 . . ?
Si6 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si6 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si6 C12 H12A 109.5 . . ?
Si6 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si6 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si7 C13 H13A 109.5 . . ?
Si7 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si7 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si7 C14 H14A 109.5 . . ?
Si7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si8 C15 H15A 109.5 . . ?
Si8 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si8 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si8 C16 H16A 109.5 . . ?
Si8 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si8 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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
N1 Ce1 Cl1 Ce3 -76.49(5) 2_655 . . 2_655 ?
N1 Ce1 Cl1 Ce3 175.61(6) . . . 2_655 ?
Cl1 Ce1 Cl1 Ce3 49.407(9) 2_655 . . 2_655 ?
Cl2 Ce1 Cl1 Ce3 -8.429(12) 2_655 . . 2_655 ?
Cl2 Ce1 Cl1 Ce3 109.364(15) . . . 2_655 ?
Si1 Ce1 Cl1 Ce3 167.50(2) . . . 2_655 ?
Si1 Ce1 Cl1 Ce3 -97.733(18) 2_655 . . 2_655 ?
Si2 Ce1 Cl1 Ce3 -52.19(2) 2_655 . . 2_655 ?
Si2 Ce1 Cl1 Ce3 179.646(18) . . . 2_655 ?
N1 Ce1 Cl1 Ce2 -171.10(5) 2_655 . . . ?
N1 Ce1 Cl1 Ce2 80.99(6) . . . . ?
Cl1 Ce1 Cl1 Ce2 -45.209(9) 2_655 . . . ?
Cl2 Ce1 Cl1 Ce2 -103.046(15) 2_655 . . . ?
Cl2 Ce1 Cl1 Ce2 14.747(12) . . . . ?
Si1 Ce1 Cl1 Ce2 72.88(3) . . . . ?
Si1 Ce1 Cl1 Ce2 167.650(18) 2_655 . . . ?
Si2 Ce1 Cl1 Ce2 -146.809(17) 2_655 . . . ?
Si2 Ce1 Cl1 Ce2 85.029(18) . . . . ?
N2 Ce2 Cl1 Ce3 132.35(5) . . . 2_655 ?
N3 Ce2 Cl1 Ce3 32.38(3) . . . 2_655 ?
Cl3 Ce2 Cl1 Ce3 -87.672(19) . . . 2_655 ?
Cl2 Ce2 Cl1 Ce3 -123.808(13) . . . 2_655 ?
Cl4 Ce2 Cl1 Ce3 -43.659(10) . . . 2_655 ?
Si3 Ce2 Cl1 Ce3 150.738(13) . . . 2_655 ?
Si6 Ce2 Cl1 Ce3 23.110(13) . . . 2_655 ?
N2 Ce2 Cl1 Ce1 -119.45(6) . . . . ?
N3 Ce2 Cl1 Ce1 140.58(4) . . . . ?
Cl3 Ce2 Cl1 Ce1 20.53(3) . . . . ?
Cl2 Ce2 Cl1 Ce1 -15.607(13) . . . . ?
Cl4 Ce2 Cl1 Ce1 64.541(13) . . . . ?
Si3 Ce2 Cl1 Ce1 -101.062(16) . . . . ?
Si6 Ce2 Cl1 Ce1 131.310(14) . . . . ?
Ce3 Ce2 Cl1 Ce1 108.200(16) 2_655 . . . ?
N4 Ce3 Cl2 Ce2 121.09(5) . . . . ?
N3 Ce3 Cl2 Ce2 -74.37(5) 2_655 . . . ?
Cl3 Ce3 Cl2 Ce2 35.871(12) . . . . ?
Cl1 Ce3 Cl2 Ce2 -116.005(13) 2_655 . . . ?
Cl4 Ce3 Cl2 Ce2 -37.584(10) . . . . ?
Si8 Ce3 Cl2 Ce2 147.529(15) . . . . ?
Si5 Ce3 Cl2 Ce2 -127.35(2) 2_655 . . . ?
Si7 Ce3 Cl2 Ce2 98.243(17) . . . . ?
Ce2 Ce3 Cl2 Ce2 -76.520(10) 2_655 . . . ?
N4 Ce3 Cl2 Ce1 -131.18(5) . . . . ?
N3 Ce3 Cl2 Ce1 33.35(5) 2_655 . . . ?
Cl3 Ce3 Cl2 Ce1 143.592(15) . . . . ?
Cl1 Ce3 Cl2 Ce1 -8.284(12) 2_655 . . . ?
Cl4 Ce3 Cl2 Ce1 70.138(12) . . . . ?
Si8 Ce3 Cl2 Ce1 -104.749(16) . . . . ?
Si5 Ce3 Cl2 Ce1 -19.63(3) 2_655 . . . ?
Si7 Ce3 Cl2 Ce1 -154.036(15) . . . . ?
Ce2 Ce3 Cl2 Ce1 31.201(12) 2_655 . . . ?
N2 Ce2 Cl2 Ce3 -115.90(4) . . . . ?
N3 Ce2 Cl2 Ce3 85.63(5) . . . . ?
Cl3 Ce2 Cl2 Ce3 -35.869(12) . . . . ?
Cl4 Ce2 Cl2 Ce3 39.070(11) . . . . ?
Cl1 Ce2 Cl2 Ce3 119.524(14) . . . . ?
Si3 Ce2 Cl2 Ce3 -138.300(14) . . . . ?
Si6 Ce2 Cl2 Ce3 35.14(3) . . . . ?
Ce3 Ce2 Cl2 Ce3 82.497(10) 2_655 . . . ?
N2 Ce2 Cl2 Ce1 138.80(4) . . . . ?
N3 Ce2 Cl2 Ce1 -19.67(5) . . . . ?
Cl3 Ce2 Cl2 Ce1 -141.170(16) . . . . ?
Cl4 Ce2 Cl2 Ce1 -66.231(12) . . . . ?
Cl1 Ce2 Cl2 Ce1 14.222(12) . . . . ?
Si3 Ce2 Cl2 Ce1 116.398(15) . . . . ?
Si6 Ce2 Cl2 Ce1 -70.16(3) . . . . ?
Ce3 Ce2 Cl2 Ce1 -22.804(12) 2_655 . . . ?
N1 Ce1 Cl2 Ce3 127.80(5) . . . . ?
Cl1 Ce1 Cl2 Ce3 -111.853(15) . . . . ?
Cl1 Ce1 Cl2 Ce3 8.398(12) 2_655 . . . ?
Cl2 Ce1 Cl2 Ce3 -50.615(8) 2_655 . . . ?
Si1 Ce1 Cl2 Ce3 99.630(16) . . . . ?
Si1 Ce1 Cl2 Ce3 -167.09(3) 2_655 . . . ?
Si2 Ce1 Cl2 Ce3 29.33(4) 2_655 . . . ?
Si2 Ce1 Cl2 Ce3 153.595(19) . . . . ?
N1 Ce1 Cl2 Ce2 -134.88(5) . . . . ?
Cl1 Ce1 Cl2 Ce2 -14.535(12) . . . . ?
Cl1 Ce1 Cl2 Ce2 105.715(15) 2_655 . . . ?
Cl2 Ce1 Cl2 Ce2 46.703(8) 2_655 . . . ?
Si1 Ce1 Cl2 Ce2 -163.053(16) . . . . ?
Si1 Ce1 Cl2 Ce2 -69.77(3) 2_655 . . . ?
Si2 Ce1 Cl2 Ce2 126.64(4) 2_655 . . . ?
Si2 Ce1 Cl2 Ce2 -109.088(18) . . . . ?
N4 Ce3 Cl3 Ce2 -141.01(5) . . . . ?
N3 Ce3 Cl3 Ce2 101.10(4) 2_655 . . . ?
Cl2 Ce3 Cl3 Ce2 -36.731(12) . . . . ?
Cl1 Ce3 Cl3 Ce2 7.79(2) 2_655 . . . ?
Cl4 Ce3 Cl3 Ce2 42.941(13) . . . . ?
Si8 Ce3 Cl3 Ce2 -116.561(19) . . . . ?
Si5 Ce3 Cl3 Ce2 129.300(16) 2_655 . . . ?
Si7 Ce3 Cl3 Ce2 -161.020(19) . . . . ?
Ce2 Ce3 Cl3 Ce2 58.135(13) 2_655 . . . ?
N2 Ce2 Cl3 Ce3 150.43(4) . . . . ?
N3 Ce2 Cl3 Ce3 -99.05(4) . . . . ?
Cl2 Ce2 Cl3 Ce3 36.308(12) . . . . ?
Cl4 Ce2 Cl3 Ce3 -44.530(13) . . . . ?
Cl1 Ce2 Cl3 Ce3 0.79(2) . . . . ?
Si3 Ce2 Cl3 Ce3 122.228(14) . . . . ?
Si6 Ce2 Cl3 Ce3 -113.256(14) . . . . ?
Ce3 Ce2 Cl3 Ce3 -54.584(14) 2_655 . . . ?
N2 Ce2 Cl4 Ce2 152.87(10) . . . 2_655 ?
N3 Ce2 Cl4 Ce2 -109.54(3) . . . 2_655 ?
Cl3 Ce2 Cl4 Ce2 115.885(10) . . . 2_655 ?
Cl2 Ce2 Cl4 Ce2 38.897(9) . . . 2_655 ?
Cl1 Ce2 Cl4 Ce2 -34.443(9) . . . 2_655 ?
Si3 Ce2 Cl4 Ce2 49.68(5) . . . 2_655 ?
Si6 Ce2 Cl4 Ce2 -143.323(10) . . . 2_655 ?
Ce3 Ce2 Cl4 Ce2 -75.828(10) 2_655 . . 2_655 ?
N2 Ce2 Cl4 Ce3 77.67(10) . . . . ?
N3 Ce2 Cl4 Ce3 175.26(4) . . . . ?
Cl3 Ce2 Cl4 Ce3 40.684(12) . . . . ?
Cl2 Ce2 Cl4 Ce3 -36.304(12) . . . . ?
Cl1 Ce2 Cl4 Ce3 -109.645(14) . . . . ?
Si3 Ce2 Cl4 Ce3 -25.52(6) . . . . ?
Si6 Ce2 Cl4 Ce3 141.476(16) . . . . ?
Ce3 Ce2 Cl4 Ce3 -151.03(2) 2_655 . . . ?
N2 Ce2 Cl4 Ce3 -131.30(10) . . . 2_655 ?
N3 Ce2 Cl4 Ce3 -33.71(3) . . . 2_655 ?
Cl3 Ce2 Cl4 Ce3 -168.287(16) . . . 2_655 ?
Cl2 Ce2 Cl4 Ce3 114.725(14) . . . 2_655 ?
Cl1 Ce2 Cl4 Ce3 41.384(12) . . . 2_655 ?
Si3 Ce2 Cl4 Ce3 125.51(5) . . . 2_655 ?
Si6 Ce2 Cl4 Ce3 -67.495(12) . . . 2_655 ?
N4 Ce3 Cl4 Ce2 -52.56(15) . . . . ?
N3 Ce3 Cl4 Ce2 -167.05(4) 2_655 . . . ?
Cl3 Ce3 Cl4 Ce2 -41.328(12) . . . . ?
Cl2 Ce3 Cl4 Ce2 37.116(13) . . . . ?
Cl1 Ce3 Cl4 Ce2 115.875(15) 2_655 . . . ?
Si8 Ce3 Cl4 Ce2 52.71(4) . . . . ?
Si5 Ce3 Cl4 Ce2 -177.984(13) 2_655 . . . ?
Si7 Ce3 Cl4 Ce2 -76.32(3) . . . . ?
Ce2 Ce3 Cl4 Ce2 158.06(2) 2_655 . . . ?
N4 Ce3 Cl4 Ce2 149.39(15) . . . 2_655 ?
N3 Ce3 Cl4 Ce2 34.89(4) 2_655 . . 2_655 ?
Cl3 Ce3 Cl4 Ce2 160.615(16) . . . 2_655 ?
Cl2 Ce3 Cl4 Ce2 -120.941(15) . . . 2_655 ?
Cl1 Ce3 Cl4 Ce2 -42.182(12) 2_655 . . 2_655 ?
Si8 Ce3 Cl4 Ce2 -105.35(4) . . . 2_655 ?
Si5 Ce3 Cl4 Ce2 23.959(15) 2_655 . . 2_655 ?
Si7 Ce3 Cl4 Ce2 125.63(2) . . . 2_655 ?
N4 Ce3 Cl4 Ce3 -131.16(15) . . . 2_655 ?
N3 Ce3 Cl4 Ce3 114.34(4) 2_655 . . 2_655 ?
Cl3 Ce3 Cl4 Ce3 -119.934(10) . . . 2_655 ?
Cl2 Ce3 Cl4 Ce3 -41.490(9) . . . 2_655 ?
Cl1 Ce3 Cl4 Ce3 37.268(9) 2_655 . . 2_655 ?
Si8 Ce3 Cl4 Ce3 -25.89(4) . . . 2_655 ?
Si5 Ce3 Cl4 Ce3 103.409(10) 2_655 . . 2_655 ?
Si7 Ce3 Cl4 Ce3 -154.92(2) . . . 2_655 ?
Ce2 Ce3 Cl4 Ce3 79.450(10) 2_655 . . 2_655 ?
N1 Ce1 Si1 N1 -109.04(12) 2_655 . . . ?
Cl1 Ce1 Si1 N1 15.03(12) . . . . ?
Cl1 Ce1 Si1 N1 138.43(11) 2_655 . . . ?
Cl2 Ce1 Si1 N1 -171.94(11) 2_655 . . . ?
Cl2 Ce1 Si1 N1 66.98(11) . . . . ?
Si1 Ce1 Si1 N1 -79.39(11) 2_655 . . . ?
Si2 Ce1 Si1 N1 -134.90(11) 2_655 . . . ?
Si2 Ce1 Si1 N1 0.38(11) . . . . ?
N1 Ce1 Si1 C2 -18.83(13) 2_655 . . . ?
N1 Ce1 Si1 C2 90.21(16) . . . . ?
Cl1 Ce1 Si1 C2 105.24(12) . . . . ?
Cl1 Ce1 Si1 C2 -131.36(12) 2_655 . . . ?
Cl2 Ce1 Si1 C2 -81.73(12) 2_655 . . . ?
Cl2 Ce1 Si1 C2 157.19(12) . . . . ?
Si1 Ce1 Si1 C2 10.82(11) 2_655 . . . ?
Si2 Ce1 Si1 C2 -44.70(12) 2_655 . . . ?
Si2 Ce1 Si1 C2 90.59(12) . . . . ?
N1 Ce1 Si1 C1 160.11(16) 2_655 . . . ?
N1 Ce1 Si1 C1 -90.85(19) . . . . ?
Cl1 Ce1 Si1 C1 -75.82(15) . . . . ?
Cl1 Ce1 Si1 C1 47.59(15) 2_655 . . . ?
Cl2 Ce1 Si1 C1 97.21(15) 2_655 . . . ?
Cl2 Ce1 Si1 C1 -23.87(15) . . . . ?
Si1 Ce1 Si1 C1 -170.24(16) 2_655 . . . ?
Si2 Ce1 Si1 C1 134.25(15) 2_655 . . . ?
Si2 Ce1 Si1 C1 -90.46(15) . . . . ?
N1 Ce1 Si2 N1 75.52(17) 2_655 . . . ?
Cl1 Ce1 Si2 N1 -171.48(13) . . . . ?
Cl1 Ce1 Si2 N1 -59.64(13) 2_655 . . . ?
Cl2 Ce1 Si2 N1 168.69(13) 2_655 . . . ?
Cl2 Ce1 Si2 N1 -103.71(13) . . . . ?
Si1 Ce1 Si2 N1 -0.44(13) . . . . ?
Si1 Ce1 Si2 N1 97.03(13) 2_655 . . . ?
N1 Ce1 Si2 C3 158.55(15) 2_655 . . . ?
N1 Ce1 Si2 C3 83.03(19) . . . . ?
Cl1 Ce1 Si2 C3 -88.45(14) . . . . ?
Cl1 Ce1 Si2 C3 23.39(15) 2_655 . . . ?
Cl2 Ce1 Si2 C3 -108.28(15) 2_655 . . . ?
Cl2 Ce1 Si2 C3 -20.68(14) . . . . ?
Si1 Ce1 Si2 C3 82.59(14) . . . . ?
Si1 Ce1 Si2 C3 -179.94(14) 2_655 . . . ?
Si2 Ce1 Si2 C3 137.08(14) 2_655 . . . ?
N1 Ce1 Si2 C4 -9.27(15) 2_655 . . . ?
N1 Ce1 Si2 C4 -84.79(19) . . . . ?
Cl1 Ce1 Si2 C4 103.73(14) . . . . ?
Cl1 Ce1 Si2 C4 -144.43(14) 2_655 . . . ?
Cl2 Ce1 Si2 C4 83.90(15) 2_655 . . . ?
Cl2 Ce1 Si2 C4 171.50(14) . . . . ?
Si1 Ce1 Si2 C4 -85.23(14) . . . . ?
Si1 Ce1 Si2 C4 12.24(14) 2_655 . . . ?
Si2 Ce1 Si2 C4 -30.74(14) 2_655 . . . ?
N3 Ce2 Si3 N2 -75.96(9) . . . . ?
Cl3 Ce2 Si3 N2 64.36(8) . . . . ?
Cl2 Ce2 Si3 N2 137.64(8) . . . . ?
Cl4 Ce2 Si3 N2 127.15(9) . . . . ?
Cl1 Ce2 Si3 N2 -151.79(8) . . . . ?
Si6 Ce2 Si3 N2 -38.20(8) . . . . ?
Ce3 Ce2 Si3 N2 -119.83(8) 2_655 . . . ?
N2 Ce2 Si3 C5 -101.55(14) . . . . ?
N3 Ce2 Si3 C5 -177.51(11) . . . . ?
Cl3 Ce2 Si3 C5 -37.19(11) . . . . ?
Cl2 Ce2 Si3 C5 36.09(11) . . . . ?
Cl4 Ce2 Si3 C5 25.60(13) . . . . ?
Cl1 Ce2 Si3 C5 106.66(11) . . . . ?
Si6 Ce2 Si3 C5 -139.75(11) . . . . ?
Ce3 Ce2 Si3 C5 138.62(11) 2_655 . . . ?
N2 Ce2 Si3 C6 81.71(13) . . . . ?
N3 Ce2 Si3 C6 5.75(12) . . . . ?
Cl3 Ce2 Si3 C6 146.07(11) . . . . ?
Cl2 Ce2 Si3 C6 -140.64(11) . . . . ?
Cl4 Ce2 Si3 C6 -151.14(11) . . . . ?
Cl1 Ce2 Si3 C6 -70.08(11) . . . . ?
Si6 Ce2 Si3 C6 43.52(11) . . . . ?
Ce3 Ce2 Si3 C6 -38.12(11) 2_655 . . . ?
N2 Ce2 Si6 N3 -115.02(7) . . . . ?
Cl3 Ce2 Si6 N3 157.31(6) . . . . ?
Cl2 Ce2 Si6 N3 91.80(7) . . . . ?
Cl4 Ce2 Si6 N3 87.76(6) . . . . ?
Cl1 Ce2 Si6 N3 16.76(6) . . . . ?
Si3 Ce2 Si6 N3 -96.00(6) . . . . ?
Ce3 Ce2 Si6 N3 35.52(6) 2_655 . . . ?
N2 Ce2 Si6 C12 150.29(11) . . . . ?
N3 Ce2 Si6 C12 -94.69(12) . . . . ?
Cl3 Ce2 Si6 C12 62.62(10) . . . . ?
Cl2 Ce2 Si6 C12 -2.89(11) . . . . ?
Cl4 Ce2 Si6 C12 -6.93(10) . . . . ?
Cl1 Ce2 Si6 C12 -77.93(10) . . . . ?
Si3 Ce2 Si6 C12 169.31(10) . . . . ?
Ce3 Ce2 Si6 C12 -59.17(10) 2_655 . . . ?
N2 Ce2 Si6 C11 -12.55(10) . . . . ?
N3 Ce2 Si6 C11 102.46(11) . . . . ?
Cl3 Ce2 Si6 C11 -100.22(9) . . . . ?
Cl2 Ce2 Si6 C11 -165.73(9) . . . . ?
Cl4 Ce2 Si6 C11 -169.78(9) . . . . ?
Cl1 Ce2 Si6 C11 119.22(9) . . . . ?
Si3 Ce2 Si6 C11 6.47(9) . . . . ?
Ce3 Ce2 Si6 C11 137.98(9) 2_655 . . . ?
N3 Ce3 Si7 N4 -121.75(12) 2_655 . . . ?
Cl3 Ce3 Si7 N4 126.03(11) . . . . ?
Cl2 Ce3 Si7 N4 63.18(11) . . . . ?
Cl1 Ce3 Si7 N4 -40.98(12) 2_655 . . . ?
Cl4 Ce3 Si7 N4 160.33(11) . . . . ?
Si8 Ce3 Si7 N4 -1.75(11) . . . . ?
Si5 Ce3 Si7 N4 -93.11(11) 2_655 . . . ?
Ce2 Ce3 Si7 N4 -125.30(11) 2_655 . . . ?
N4 Ce3 Si7 C13 -94.9(2) . . . . ?
N3 Ce3 Si7 C13 143.33(16) 2_655 . . . ?
Cl3 Ce3 Si7 C13 31.11(16) . . . . ?
Cl2 Ce3 Si7 C13 -31.74(16) . . . . ?
Cl1 Ce3 Si7 C13 -135.91(16) 2_655 . . . ?
Cl4 Ce3 Si7 C13 65.40(16) . . . . ?
Si8 Ce3 Si7 C13 -96.68(16) . . . . ?
Si5 Ce3 Si7 C13 171.96(16) 2_655 . . . ?
Ce2 Ce3 Si7 C13 139.77(16) 2_655 . . . ?
N4 Ce3 Si7 C14 65.7(2) . . . . ?
N3 Ce3 Si7 C14 -56.02(19) 2_655 . . . ?
Cl3 Ce3 Si7 C14 -168.24(19) . . . . ?
Cl2 Ce3 Si7 C14 128.91(19) . . . . ?
Cl1 Ce3 Si7 C14 24.74(19) 2_655 . . . ?
Cl4 Ce3 Si7 C14 -133.95(18) . . . . ?
Si8 Ce3 Si7 C14 63.97(19) . . . . ?
Si5 Ce3 Si7 C14 -27.39(19) 2_655 . . . ?
Ce2 Ce3 Si7 C14 -59.58(19) 2_655 . . . ?
N3 Ce3 Si8 N4 86.70(10) 2_655 . . . ?
Cl3 Ce3 Si8 N4 -52.22(9) . . . . ?
Cl2 Ce3 Si8 N4 -124.22(9) . . . . ?
Cl1 Ce3 Si8 N4 160.48(9) 2_655 . . . ?
Cl4 Ce3 Si8 N4 -139.34(9) . . . . ?
Si5 Ce3 Si8 N4 89.88(9) 2_655 . . . ?
Si7 Ce3 Si8 N4 1.42(9) . . . . ?
Ce2 Ce3 Si8 N4 134.73(9) 2_655 . . . ?
N4 Ce3 Si8 C15 93.51(18) . . . . ?
N3 Ce3 Si8 C15 -179.79(16) 2_655 . . . ?
Cl3 Ce3 Si8 C15 41.29(16) . . . . ?
Cl2 Ce3 Si8 C15 -30.71(15) . . . . ?
Cl1 Ce3 Si8 C15 -106.01(15) 2_655 . . . ?
Cl4 Ce3 Si8 C15 -45.83(16) . . . . ?
Si5 Ce3 Si8 C15 -176.61(15) 2_655 . . . ?
Si7 Ce3 Si8 C15 94.93(16) . . . . ?
Ce2 Ce3 Si8 C15 -131.76(15) 2_655 . . . ?
N4 Ce3 Si8 C16 -92.57(18) . . . . ?
N3 Ce3 Si8 C16 -5.87(16) 2_655 . . . ?
Cl3 Ce3 Si8 C16 -144.79(15) . . . . ?
Cl2 Ce3 Si8 C16 143.21(15) . . . . ?
Cl1 Ce3 Si8 C16 67.91(15) 2_655 . . . ?
Cl4 Ce3 Si8 C16 128.09(15) . . . . ?
Si5 Ce3 Si8 C16 -2.69(15) 2_655 . . . ?
Si7 Ce3 Si8 C16 -91.16(15) . . . . ?
Ce2 Ce3 Si8 C16 42.16(15) 2_655 . . . ?
C2 Si1 N1 Si2 65.1(2) . . . . ?
C1 Si1 N1 Si2 -63.6(2) . . . . ?
Ce1 Si1 N1 Si2 -179.1(3) . . . . ?
C2 Si1 N1 Ce1 -115.85(14) . . . . ?
C1 Si1 N1 Ce1 115.46(14) . . . . ?
C3 Si2 N1 Si1 61.1(2) . . . . ?
C4 Si2 N1 Si1 -65.1(3) . . . . ?
Ce1 Si2 N1 Si1 179.0(3) . . . . ?
C3 Si2 N1 Ce1 -117.93(15) . . . . ?
C4 Si2 N1 Ce1 115.88(16) . . . . ?
N1 Ce1 N1 Si1 71.69(9) 2_655 . . . ?
Cl1 Ce1 N1 Si1 -170.06(8) . . . . ?
Cl1 Ce1 N1 Si1 -46.14(11) 2_655 . . . ?
Cl2 Ce1 N1 Si1 54.0(6) 2_655 . . . ?
Cl2 Ce1 N1 Si1 -110.02(10) . . . . ?
Si1 Ce1 N1 Si1 100.24(10) 2_655 . . . ?
Si2 Ce1 N1 Si1 46.39(11) 2_655 . . . ?
Si2 Ce1 N1 Si1 -179.3(2) . . . . ?
N1 Ce1 N1 Si2 -109.03(14) 2_655 . . . ?
Cl1 Ce1 N1 Si2 9.22(14) . . . . ?
Cl1 Ce1 N1 Si2 133.13(10) 2_655 . . . ?
Cl2 Ce1 N1 Si2 69.26(11) . . . . ?
Si1 Ce1 N1 Si2 179.3(2) . . . . ?
Si1 Ce1 N1 Si2 -80.49(12) 2_655 . . . ?
Si2 Ce1 N1 Si2 -134.34(11) 2_655 . . . ?
C5 Si3 N2 Si4 -71.89(16) . . . . ?
C6 Si3 N2 Si4 58.13(16) . . . . ?
Ce2 Si3 N2 Si4 -172.59(17) . . . . ?
C5 Si3 N2 Ce2 100.70(12) . . . . ?
C6 Si3 N2 Ce2 -129.28(10) . . . . ?
C7 Si4 N2 Si3 55.90(16) . . . . ?
C8 Si4 N2 Si3 -67.36(16) . . . . ?
C7 Si4 N2 Ce2 -114.96(13) . . . . ?
C8 Si4 N2 Ce2 121.79(12) . . . . ?
N3 Ce2 N2 Si3 117.81(7) . . . . ?
Cl3 Ce2 N2 Si3 -117.92(7) . . . . ?
Cl2 Ce2 N2 Si3 -46.71(8) . . . . ?
Cl4 Ce2 N2 Si3 -152.89(5) . . . . ?
Cl1 Ce2 N2 Si3 36.20(10) . . . . ?
Si6 Ce2 N2 Si3 148.39(7) . . . . ?
Ce3 Ce2 N2 Si3 101.06(8) 2_655 . . . ?
N3 Ce2 N2 Si4 -69.65(12) . . . . ?
Cl3 Ce2 N2 Si4 54.62(10) . . . . ?
Cl2 Ce2 N2 Si4 125.83(10) . . . . ?
Cl4 Ce2 N2 Si4 19.65(19) . . . . ?
Cl1 Ce2 N2 Si4 -151.26(8) . . . . ?
Si3 Ce2 N2 Si4 172.54(17) . . . . ?
Si6 Ce2 N2 Si4 -39.07(11) . . . . ?
Ce3 Ce2 N2 Si4 -86.40(12) 2_655 . . . ?
C12 Si6 N3 Si5 -112.31(13) . . . . ?
C11 Si6 N3 Si5 17.43(15) . . . . ?
Ce2 Si6 N3 Si5 125.49(12) . . . . ?
C12 Si6 N3 Ce3 14.00(13) . . . 2_655 ?
C11 Si6 N3 Ce3 143.74(10) . . . 2_655 ?
Ce2 Si6 N3 Ce3 -108.20(9) . . . 2_655 ?
C12 Si6 N3 Ce2 122.20(9) . . . . ?
C11 Si6 N3 Ce2 -108.06(9) . . . . ?
C10 Si5 N3 Si6 -95.68(13) . . . . ?
C9 Si5 N3 Si6 34.89(15) . . . . ?
Ce3 Si5 N3 Si6 136.55(13) 2_655 . . . ?
C10 Si5 N3 Ce3 127.77(8) . . . 2_655 ?
C9 Si5 N3 Ce3 -101.66(10) . . . 2_655 ?
C10 Si5 N3 Ce2 19.76(11) . . . . ?
C9 Si5 N3 Ce2 150.33(10) . . . . ?
Ce3 Si5 N3 Ce2 -108.01(8) 2_655 . . . ?
N2 Ce2 N3 Si6 71.82(7) . . . . ?
Cl3 Ce2 N3 Si6 -27.40(7) . . . . ?
Cl2 Ce2 N3 Si6 -129.19(5) . . . . ?
Cl4 Ce2 N3 Si6 -81.55(5) . . . . ?
Cl1 Ce2 N3 Si6 -162.83(6) . . . . ?
Si3 Ce2 N3 Si6 104.23(5) . . . . ?
Ce3 Ce2 N3 Si6 -124.13(8) 2_655 . . . ?
N2 Ce2 N3 Si5 -60.21(9) . . . . ?
Cl3 Ce2 N3 Si5 -159.43(6) . . . . ?
Cl2 Ce2 N3 Si5 98.78(8) . . . . ?
Cl4 Ce2 N3 Si5 146.42(8) . . . . ?
Cl1 Ce2 N3 Si5 65.14(7) . . . . ?
Si3 Ce2 N3 Si5 -27.80(9) . . . . ?
Si6 Ce2 N3 Si5 -132.03(11) . . . . ?
Ce3 Ce2 N3 Si5 103.84(9) 2_655 . . . ?
N2 Ce2 N3 Ce3 -164.05(5) . . . 2_655 ?
Cl3 Ce2 N3 Ce3 96.73(5) . . . 2_655 ?
Cl2 Ce2 N3 Ce3 -5.06(8) . . . 2_655 ?
Cl4 Ce2 N3 Ce3 42.58(4) . . . 2_655 ?
Cl1 Ce2 N3 Ce3 -38.71(4) . . . 2_655 ?
Si3 Ce2 N3 Ce3 -131.64(3) . . . 2_655 ?
Si6 Ce2 N3 Ce3 124.13(8) . . . 2_655 ?
C13 Si7 N4 Si8 -82.9(2) . . . . ?
C14 Si7 N4 Si8 42.3(2) . . . . ?
Ce3 Si7 N4 Si8 176.1(3) . . . . ?
C13 Si7 N4 Ce3 101.07(15) . . . . ?
C14 Si7 N4 Ce3 -133.76(17) . . . . ?
C15 Si8 N4 Si7 70.1(2) . . . . ?
C16 Si8 N4 Si7 -60.8(2) . . . . ?
Ce3 Si8 N4 Si7 -176.5(2) . . . . ?
C15 Si8 N4 Ce3 -113.43(15) . . . . ?
C16 Si8 N4 Ce3 115.71(12) . . . . ?
N3 Ce3 N4 Si7 66.29(12) 2_655 . . . ?
Cl3 Ce3 N4 Si7 -50.91(10) . . . . ?
Cl2 Ce3 N4 Si7 -124.77(10) . . . . ?
Cl1 Ce3 N4 Si7 153.33(8) 2_655 . . . ?
Cl4 Ce3 N4 Si7 -40.3(2) . . . . ?
Si8 Ce3 N4 Si7 177.21(18) . . . . ?
Si5 Ce3 N4 Si7 86.78(10) 2_655 . . . ?
Ce2 Ce3 N4 Si7 92.04(12) 2_655 . . . ?
N3 Ce3 N4 Si8 -110.91(9) 2_655 . . . ?
Cl3 Ce3 N4 Si8 131.88(8) . . . . ?
Cl2 Ce3 N4 Si8 58.02(8) . . . . ?
Cl1 Ce3 N4 Si8 -23.88(11) 2_655 . . . ?
Cl4 Ce3 N4 Si8 142.46(9) . . . . ?
Si5 Ce3 N4 Si8 -90.42(8) 2_655 . . . ?
Si7 Ce3 N4 Si8 -177.21(18) . . . . ?
Ce2 Ce3 N4 Si8 -85.17(13) 2_655 . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        30.25
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         3.078
_refine_diff_density_min         -0.903
_refine_diff_density_rms         0.095