# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Dongmei Cui'
_publ_contact_author_email       DMCUI@CIAC.JL.CN

_publ_section_title              
;
Copolymerization of ethylene with norbornene catalyzed
by cationic rare-earth metal fluorenyl functionalized N-heterocyclic
carbene complexes
;
loop_
_publ_author_name
'Dongmei Cui'
'Baoli Wang'

# Attachment '732597-revised.cif'

data_s153m
_database_code_depnum_ccdc_archive 'CCDC 732597'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C43 H63 Lu N2 Si2'
_chemical_formula_weight         839.10

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'
Lu Lu -0.4720 5.8584 '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                   11.2455(6)
_cell_length_b                   23.7372(12)
_cell_length_c                   33.4091(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.5170(10)
_cell_angle_gamma                90.00
_cell_volume                     8909.5(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    187(2)
_cell_measurement_reflns_used    5425
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      25.68

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3472
_exptl_absorpt_coefficient_mu    2.298
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8028
_exptl_absorpt_correction_T_max  0.8375
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      187(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            49863
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0549
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         1.49
_diffrn_reflns_theta_max         26.05
_reflns_number_total             17559
_reflns_number_gt                13758
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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          
;
The atoms (Si3 Si4 C81 C82 C83 C84 C85 C86 C58 C59 C60) were a little discorder. The isor order was used.
;

_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^)+(0.0404P)^2^+0.0000P] 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         17559
_refine_ls_number_parameters     895
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0374
_refine_ls_wR_factor_ref         0.0852
_refine_ls_wR_factor_gt          0.0779
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_restrained_S_all      1.008
_refine_ls_shift/su_max          0.005
_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
C1 C 1.0247(3) 0.75543(17) 1.03109(11) 0.0236(9) Uani 1 1 d . . .
C2 C 1.0992(3) 0.80328(17) 1.02762(12) 0.0268(9) Uani 1 1 d . . .
H2 H 1.1637 0.8014 1.0112 0.032 Uiso 1 1 calc R . .
C3 C 1.0782(3) 0.85201(18) 1.04790(12) 0.0276(9) Uani 1 1 d . . .
C4 C 0.9771(4) 0.85478(18) 1.07213(12) 0.0316(10) Uani 1 1 d . . .
H4 H 0.9632 0.8879 1.0861 0.038 Uiso 1 1 calc R . .
C5 C 0.8999(4) 0.81090(18) 1.07568(11) 0.0290(10) Uani 1 1 d . . .
H5 H 0.8343 0.8142 1.0915 0.035 Uiso 1 1 calc R . .
C6 C 0.9212(3) 0.76026(17) 1.05483(11) 0.0230(9) Uani 1 1 d . . .
C7 C 0.8640(3) 0.70622(17) 1.05470(11) 0.0231(9) Uani 1 1 d . . .
C8 C 0.7648(3) 0.68456(18) 1.07363(11) 0.0285(10) Uani 1 1 d . . .
H8 H 0.7188 0.7081 1.0889 0.034 Uiso 1 1 calc R . .
C9 C 0.7358(3) 0.62913(18) 1.06968(12) 0.0283(10) Uani 1 1 d . . .
H9 H 0.6704 0.6156 1.0828 0.034 Uiso 1 1 calc R . .
C10 C 0.8019(3) 0.59087(18) 1.04604(12) 0.0281(9) Uani 1 1 d . . .
C11 C 0.8990(3) 0.61143(17) 1.02753(11) 0.0260(9) Uani 1 1 d . . .
H11 H 0.9435 0.5872 1.0123 0.031 Uiso 1 1 calc R . .
C12 C 0.9334(3) 0.66864(17) 1.03095(11) 0.0235(9) Uani 1 1 d . . .
C13 C 1.0299(3) 0.69981(17) 1.01497(11) 0.0235(9) Uani 1 1 d . . .
C14 C 1.1602(4) 0.90382(19) 1.04717(13) 0.0350(11) Uani 1 1 d . . .
C15 C 1.2155(5) 0.9142(2) 1.08918(14) 0.0552(14) Uani 1 1 d . . .
H15A H 1.1535 0.9199 1.1076 0.083 Uiso 1 1 calc R . .
H15B H 1.2653 0.9470 1.0888 0.083 Uiso 1 1 calc R . .
H15C H 1.2625 0.8821 1.0975 0.083 Uiso 1 1 calc R . .
C16 C 1.0884(4) 0.9556(2) 1.03341(15) 0.0480(13) Uani 1 1 d . . .
H16A H 1.0278 0.9631 1.0521 0.072 Uiso 1 1 calc R . .
H16B H 1.0518 0.9487 1.0074 0.072 Uiso 1 1 calc R . .
H16C H 1.1404 0.9876 1.0321 0.072 Uiso 1 1 calc R . .
C17 C 1.2617(4) 0.8960(2) 1.01847(15) 0.0450(12) Uani 1 1 d . . .
H17A H 1.3102 0.9293 1.0187 0.067 Uiso 1 1 calc R . .
H17B H 1.2290 0.8896 0.9918 0.067 Uiso 1 1 calc R . .
H17C H 1.3094 0.8643 1.0269 0.067 Uiso 1 1 calc R . .
C18 C 0.7604(3) 0.52968(18) 1.04288(12) 0.0302(10) Uani 1 1 d . . .
C19 C 0.7665(4) 0.5018(2) 1.08436(13) 0.0465(13) Uani 1 1 d . . .
H19A H 0.8469 0.5030 1.0953 0.070 Uiso 1 1 calc R . .
H19B H 0.7411 0.4633 1.0819 0.070 Uiso 1 1 calc R . .
H19C H 0.7154 0.5216 1.1018 0.070 Uiso 1 1 calc R . .
C20 C 0.6314(4) 0.5279(2) 1.02576(17) 0.0631(16) Uani 1 1 d . . .
H20A H 0.5805 0.5470 1.0437 0.095 Uiso 1 1 calc R . .
H20B H 0.6062 0.4894 1.0228 0.095 Uiso 1 1 calc R . .
H20C H 0.6267 0.5461 1.0001 0.095 Uiso 1 1 calc R . .
C21 C 0.8369(4) 0.4952(2) 1.01524(14) 0.0474(13) Uani 1 1 d . . .
H21A H 0.8388 0.5133 0.9896 0.071 Uiso 1 1 calc R . .
H21B H 0.8036 0.4581 1.0120 0.071 Uiso 1 1 calc R . .
H21C H 0.9164 0.4924 1.0268 0.071 Uiso 1 1 calc R . .
C22 C 1.1277(3) 0.67399(18) 0.99204(12) 0.0279(9) Uani 1 1 d . . .
H22A H 1.1602 0.6423 1.0073 0.033 Uiso 1 1 calc R . .
H22B H 1.1908 0.7015 0.9899 0.033 Uiso 1 1 calc R . .
C23 C 1.0907(4) 0.65351(19) 0.94986(12) 0.0338(11) Uani 1 1 d . . .
H23A H 1.1521 0.6289 0.9402 0.041 Uiso 1 1 calc R . .
H23B H 1.0178 0.6318 0.9510 0.041 Uiso 1 1 calc R . .
C24 C 0.9831(4) 0.73865(18) 0.92290(12) 0.0303(10) Uani 1 1 d . . .
C25 C 1.1459(5) 0.7105(3) 0.89085(15) 0.070(2) Uani 1 1 d . . .
H25 H 1.2126 0.6898 0.8845 0.084 Uiso 1 1 calc R . .
C26 C 1.1030(5) 0.7564(3) 0.87165(17) 0.073(2) Uani 1 1 d . . .
H26 H 1.1343 0.7736 0.8494 0.088 Uiso 1 1 calc R . .
C27 C 0.9299(4) 0.8192(2) 0.87683(12) 0.0349(11) Uani 1 1 d . . .
C28 C 0.9512(4) 0.8728(2) 0.89171(13) 0.0386(12) Uani 1 1 d . . .
C29 C 0.8795(4) 0.9159(2) 0.87641(13) 0.0405(11) Uani 1 1 d . . .
H29 H 0.8921 0.9522 0.8861 0.049 Uiso 1 1 calc R . .
C30 C 0.7901(4) 0.9074(2) 0.84739(14) 0.0435(12) Uani 1 1 d . . .
C31 C 0.7735(4) 0.8530(2) 0.83320(13) 0.0427(12) Uani 1 1 d . . .
H31 H 0.7128 0.8463 0.8140 0.051 Uiso 1 1 calc R . .
C32 C 0.8444(4) 0.8080(2) 0.84667(13) 0.0390(11) Uani 1 1 d . . .
C33 C 1.0477(4) 0.8839(2) 0.92329(15) 0.0568(15) Uani 1 1 d . . .
H33A H 1.0337 0.8617 0.9466 0.085 Uiso 1 1 calc R . .
H33B H 1.0476 0.9232 0.9303 0.085 Uiso 1 1 calc R . .
H33C H 1.1235 0.8741 0.9131 0.085 Uiso 1 1 calc R . .
C34 C 0.7179(5) 0.9558(3) 0.83051(17) 0.0688(17) Uani 1 1 d . . .
H34A H 0.6958 0.9801 0.8519 0.103 Uiso 1 1 calc R . .
H34B H 0.6474 0.9416 0.8167 0.103 Uiso 1 1 calc R . .
H34C H 0.7643 0.9766 0.8121 0.103 Uiso 1 1 calc R . .
C35 C 0.8335(5) 0.7511(2) 0.82729(15) 0.0579(15) Uani 1 1 d . . .
H35A H 0.9021 0.7442 0.8119 0.087 Uiso 1 1 calc R . .
H35B H 0.7631 0.7501 0.8100 0.087 Uiso 1 1 calc R . .
H35C H 0.8282 0.7227 0.8476 0.087 Uiso 1 1 calc R . .
C36 C 0.6795(4) 0.6880(2) 0.96398(12) 0.0363(11) Uani 1 1 d . . .
H36A H 0.6897 0.6557 0.9816 0.044 Uiso 1 1 calc R . .
H36B H 0.6118 0.7087 0.9734 0.044 Uiso 1 1 calc R . .
C37 C 0.7759(4) 0.83616(18) 0.97406(13) 0.0342(10) Uani 1 1 d . . .
H37A H 0.8338 0.8580 0.9899 0.041 Uiso 1 1 calc R . .
H37B H 0.7854 0.8472 0.9464 0.041 Uiso 1 1 calc R . .
C38 C 0.4991(6) 0.6094(3) 0.91758(19) 0.098(3) Uani 1 1 d . . .
H38A H 0.5211 0.5772 0.9336 0.147 Uiso 1 1 calc R . .
H38B H 0.4758 0.5973 0.8909 0.147 Uiso 1 1 calc R . .
H38C H 0.4337 0.6284 0.9292 0.147 Uiso 1 1 calc R . .
C39 C 0.5792(5) 0.7154(2) 0.87974(14) 0.0561(15) Uani 1 1 d . . .
H39A H 0.5061 0.7313 0.8883 0.084 Uiso 1 1 calc R . .
H39B H 0.5667 0.6995 0.8535 0.084 Uiso 1 1 calc R . .
H39C H 0.6388 0.7443 0.8791 0.084 Uiso 1 1 calc R . .
C40 C 0.7563(6) 0.6179(2) 0.89501(17) 0.0729(18) Uani 1 1 d . . .
H40A H 0.8239 0.6422 0.8926 0.109 Uiso 1 1 calc R . .
H40B H 0.7326 0.6031 0.8691 0.109 Uiso 1 1 calc R . .
H40C H 0.7771 0.5874 0.9128 0.109 Uiso 1 1 calc R . .
C41 C 0.6038(4) 0.8503(2) 1.04089(13) 0.0485(13) Uani 1 1 d . . .
H41A H 0.6031 0.8103 1.0455 0.073 Uiso 1 1 calc R . .
H41B H 0.5285 0.8660 1.0475 0.073 Uiso 1 1 calc R . .
H41C H 0.6661 0.8673 1.0573 0.073 Uiso 1 1 calc R . .
C42 C 0.5074(4) 0.8315(2) 0.95492(14) 0.0479(13) Uani 1 1 d . . .
H42A H 0.5287 0.8320 0.9274 0.072 Uiso 1 1 calc R . .
H42B H 0.4353 0.8525 0.9577 0.072 Uiso 1 1 calc R . .
H42C H 0.4956 0.7933 0.9633 0.072 Uiso 1 1 calc R . .
C43 C 0.6195(5) 0.9421(2) 0.97898(16) 0.0572(15) Uani 1 1 d . . .
H43A H 0.6765 0.9609 0.9966 0.086 Uiso 1 1 calc R . .
H43B H 0.5408 0.9547 0.9845 0.086 Uiso 1 1 calc R . .
H43C H 0.6358 0.9508 0.9517 0.086 Uiso 1 1 calc R . .
C44 C 0.2024(4) 0.62000(18) 0.30430(12) 0.0290(10) Uani 1 1 d . . .
C45 C 0.2119(4) 0.56757(19) 0.32324(11) 0.0320(10) Uani 1 1 d . . .
H45 H 0.1525 0.5408 0.3186 0.038 Uiso 1 1 calc R . .
C46 C 0.3078(4) 0.5551(2) 0.34862(12) 0.0354(11) Uani 1 1 d . A .
C47 C 0.3975(4) 0.5965(2) 0.35499(12) 0.0400(12) Uani 1 1 d . . .
H47 H 0.4628 0.5881 0.3720 0.048 Uiso 1 1 calc R . .
C48 C 0.3917(4) 0.6487(2) 0.33697(12) 0.0357(11) Uani 1 1 d . . .
H48 H 0.4522 0.6748 0.3419 0.043 Uiso 1 1 calc R . .
C49 C 0.2937(4) 0.66218(18) 0.31107(11) 0.0281(9) Uani 1 1 d . . .
C50 C 0.2551(4) 0.71253(19) 0.29069(11) 0.0289(10) Uani 1 1 d . . .
C51 C 0.2994(4) 0.7682(2) 0.28962(13) 0.0364(11) Uani 1 1 d . . .
H51 H 0.3728 0.7768 0.3021 0.044 Uiso 1 1 calc R . .
C52 C 0.2343(4) 0.8095(2) 0.27018(14) 0.0418(12) Uani 1 1 d . . .
H52 H 0.2648 0.8459 0.2697 0.050 Uiso 1 1 calc R . .
C53 C 0.1225(4) 0.7987(2) 0.25084(13) 0.0390(11) Uani 1 1 d . . .
C54 C 0.0788(4) 0.74505(19) 0.25013(12) 0.0334(11) Uani 1 1 d . . .
H54 H 0.0076 0.7373 0.2360 0.040 Uiso 1 1 calc R . .
C55 C 0.1413(3) 0.70072(19) 0.27088(11) 0.0282(10) Uani 1 1 d . . .
C56 C 0.1112(4) 0.64322(18) 0.27803(12) 0.0277(9) Uani 1 1 d . . .
C57 C 0.3200(4) 0.4980(2) 0.37021(13) 0.0428(12) Uani 1 1 d . . .
C61 C 0.0513(5) 0.8484(2) 0.23195(17) 0.0541(14) Uani 1 1 d . . .
C62 C 0.0207(6) 0.8890(3) 0.26569(19) 0.082(2) Uani 1 1 d . . .
H62A H 0.0922 0.9065 0.2764 0.122 Uiso 1 1 calc R . .
H62B H -0.0165 0.8685 0.2865 0.122 Uiso 1 1 calc R . .
H62C H -0.0329 0.9175 0.2553 0.122 Uiso 1 1 calc R . .
C63 C -0.0645(5) 0.8296(3) 0.20989(19) 0.077(2) Uani 1 1 d . . .
H63A H -0.1138 0.8104 0.2282 0.115 Uiso 1 1 calc R . .
H63B H -0.0462 0.8046 0.1884 0.115 Uiso 1 1 calc R . .
H63C H -0.1060 0.8620 0.1992 0.115 Uiso 1 1 calc R . .
C64 C 0.1277(5) 0.8795(2) 0.20188(18) 0.0713(18) Uani 1 1 d . . .
H64A H 0.0821 0.9096 0.1896 0.107 Uiso 1 1 calc R . .
H64B H 0.1515 0.8537 0.1816 0.107 Uiso 1 1 calc R . .
H64C H 0.1971 0.8948 0.2157 0.107 Uiso 1 1 calc R . .
C65 C -0.0043(4) 0.61323(19) 0.26708(13) 0.0341(10) Uani 1 1 d . . .
H65A H -0.0380 0.5992 0.2914 0.041 Uiso 1 1 calc R . .
H65B H -0.0600 0.6402 0.2551 0.041 Uiso 1 1 calc R . .
C66 C 0.0091(4) 0.5647(2) 0.23844(13) 0.0382(11) Uani 1 1 d . . .
H66A H 0.0750 0.5411 0.2479 0.046 Uiso 1 1 calc R . .
H66B H -0.0626 0.5419 0.2379 0.046 Uiso 1 1 calc R . .
C67 C 0.1351(4) 0.60701(19) 0.18638(12) 0.0313(10) Uani 1 1 d . . .
C68 C -0.0546(4) 0.5827(2) 0.16696(14) 0.0522(15) Uani 1 1 d . . .
H68 H -0.1318 0.5690 0.1681 0.063 Uiso 1 1 calc R . .
C69 C -0.0043(4) 0.6050(3) 0.13486(14) 0.0549(15) Uani 1 1 d . . .
H69 H -0.0399 0.6098 0.1094 0.066 Uiso 1 1 calc R . .
C70 C 0.1951(4) 0.64022(19) 0.11922(12) 0.0321(10) Uani 1 1 d . . .
C71 C 0.2569(4) 0.6017(2) 0.09744(13) 0.0380(11) Uani 1 1 d . . .
C72 C 0.3376(4) 0.6227(2) 0.07093(14) 0.0459(13) Uani 1 1 d . . .
H72 H 0.3823 0.5974 0.0565 0.055 Uiso 1 1 calc R . .
C73 C 0.3537(4) 0.6793(2) 0.06530(13) 0.0432(13) Uani 1 1 d . . .
C74 C 0.2869(4) 0.7161(2) 0.08653(14) 0.0453(13) Uani 1 1 d . . .
H74 H 0.2966 0.7546 0.0826 0.054 Uiso 1 1 calc R . .
C75 C 0.2050(4) 0.6980(2) 0.11379(12) 0.0368(11) Uani 1 1 d . . .
C76 C 0.2359(5) 0.5395(2) 0.10114(15) 0.0575(15) Uani 1 1 d . . .
H76A H 0.2415 0.5289 0.1289 0.086 Uiso 1 1 calc R . .
H76B H 0.2947 0.5194 0.0868 0.086 Uiso 1 1 calc R . .
H76C H 0.1580 0.5304 0.0901 0.086 Uiso 1 1 calc R . .
C77 C 0.4394(4) 0.7018(3) 0.03539(16) 0.076(2) Uani 1 1 d . . .
H77A H 0.4002 0.7298 0.0189 0.114 Uiso 1 1 calc R . .
H77B H 0.4654 0.6715 0.0189 0.114 Uiso 1 1 calc R . .
H77C H 0.5071 0.7183 0.0495 0.114 Uiso 1 1 calc R . .
C78 C 0.1306(5) 0.7390(2) 0.13613(15) 0.0546(15) Uani 1 1 d . . .
H78A H 0.0483 0.7285 0.1330 0.082 Uiso 1 1 calc R . .
H78B H 0.1413 0.7762 0.1256 0.082 Uiso 1 1 calc R . .
H78C H 0.1549 0.7384 0.1640 0.082 Uiso 1 1 calc R . .
C79 C 0.4398(4) 0.5682(2) 0.24625(13) 0.0394(11) Uani 1 1 d . . .
H79A H 0.5160 0.5872 0.2494 0.047 Uiso 1 1 calc R . .
H79B H 0.4230 0.5533 0.2724 0.047 Uiso 1 1 calc R . .
C80 C 0.3998(4) 0.7054(2) 0.19773(13) 0.0385(11) Uani 1 1 d . . .
H80A H 0.3890 0.6925 0.1703 0.046 Uiso 1 1 calc R . .
H80B H 0.3491 0.7383 0.1994 0.046 Uiso 1 1 calc R . .
C81 C 0.5898(7) 0.4604(3) 0.2333(2) 0.120(3) Uani 1 1 d U . .
H81A H 0.6626 0.4815 0.2350 0.179 Uiso 1 1 calc R . .
H81B H 0.5977 0.4296 0.2150 0.179 Uiso 1 1 calc R . .
H81C H 0.5728 0.4460 0.2593 0.179 Uiso 1 1 calc R . .
C82 C 0.5056(6) 0.5316(3) 0.16385(18) 0.092(2) Uani 1 1 d U . .
H82A H 0.4438 0.5555 0.1527 0.139 Uiso 1 1 calc R . .
H82B H 0.5149 0.4995 0.1468 0.139 Uiso 1 1 calc R . .
H82C H 0.5790 0.5523 0.1660 0.139 Uiso 1 1 calc R . .
C83 C 0.3278(6) 0.4630(3) 0.2114(2) 0.100(2) Uani 1 1 d U . .
H83A H 0.3071 0.4518 0.2378 0.150 Uiso 1 1 calc R . .
H83B H 0.3421 0.4301 0.1956 0.150 Uiso 1 1 calc R . .
H83C H 0.2635 0.4843 0.1991 0.150 Uiso 1 1 calc R . .
C84 C 0.6683(5) 0.6812(3) 0.1981(2) 0.092(2) Uani 1 1 d U . .
H84A H 0.6682 0.6594 0.2223 0.137 Uiso 1 1 calc R . .
H84B H 0.7443 0.6992 0.1961 0.137 Uiso 1 1 calc R . .
H84C H 0.6537 0.6570 0.1754 0.137 Uiso 1 1 calc R . .
C85 C 0.5743(6) 0.7833(3) 0.15574(18) 0.081(2) Uani 1 1 d U . .
H85A H 0.5545 0.7638 0.1312 0.122 Uiso 1 1 calc R . .
H85B H 0.6563 0.7947 0.1561 0.122 Uiso 1 1 calc R . .
H85C H 0.5246 0.8161 0.1576 0.122 Uiso 1 1 calc R . .
C86 C 0.5791(5) 0.7794(3) 0.24546(18) 0.085(2) Uani 1 1 d U . .
H86A H 0.5305 0.8126 0.2440 0.128 Uiso 1 1 calc R . .
H86B H 0.6616 0.7900 0.2474 0.128 Uiso 1 1 calc R . .
H86C H 0.5603 0.7578 0.2686 0.128 Uiso 1 1 calc R . .
Lu1 Lu 0.843115(14) 0.745041(7) 0.978135(5) 0.02309(5) Uani 1 1 d . . .
Lu2 Lu 0.300214(15) 0.638341(8) 0.233404(5) 0.02589(6) Uani 1 1 d . . .
N1 N 1.0719(3) 0.70026(16) 0.92185(10) 0.0361(9) Uani 1 1 d . . .
N2 N 1.0034(3) 0.77302(18) 0.89125(11) 0.0416(10) Uani 1 1 d . . .
N3 N 0.0306(3) 0.58403(17) 0.19771(10) 0.0360(9) Uani 1 1 d . . .
N4 N 0.1102(3) 0.61963(17) 0.14696(10) 0.0355(9) Uani 1 1 d . . .
Si1 Si 0.63009(13) 0.65895(6) 0.91551(4) 0.0461(4) Uani 1 1 d . . .
Si2 Si 0.63015(11) 0.86425(5) 0.98699(4) 0.0336(3) Uani 1 1 d . . .
Si3 Si 0.46504(16) 0.50742(8) 0.21482(5) 0.0657(5) Uani 1 1 d U . .
Si4 Si 0.54981(12) 0.73574(7) 0.19910(4) 0.0484(4) Uani 1 1 d U . .
C58 C 0.3182(7) 0.5073(3) 0.41493(18) 0.101(2) Uani 1 1 d U A 1
H58A H 0.3185 0.4716 0.4284 0.151 Uiso 1 1 calc R A 1
H58B H 0.2477 0.5278 0.4211 0.151 Uiso 1 1 calc R A 1
H58C H 0.3872 0.5285 0.4237 0.151 Uiso 1 1 calc R A 1
C59 C 0.4327(6) 0.4694(3) 0.3615(2) 0.103(2) Uani 1 1 d U A 1
H59A H 0.4400 0.4354 0.3769 0.155 Uiso 1 1 calc R A 1
H59B H 0.4986 0.4938 0.3683 0.155 Uiso 1 1 calc R A 1
H59C H 0.4329 0.4603 0.3335 0.155 Uiso 1 1 calc R A 1
C60 C 0.2186(6) 0.4583(3) 0.3599(2) 0.096(2) Uani 1 1 d U A 1
H60A H 0.2200 0.4482 0.3321 0.145 Uiso 1 1 calc R A 1
H60B H 0.1445 0.4765 0.3650 0.145 Uiso 1 1 calc R A 1
H60C H 0.2268 0.4250 0.3761 0.145 Uiso 1 1 calc R A 1

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
C1 0.024(2) 0.025(2) 0.022(2) 0.0020(17) -0.0020(16) 0.0027(17)
C2 0.020(2) 0.028(3) 0.033(2) 0.0023(18) -0.0008(17) 0.0008(18)
C3 0.026(2) 0.029(3) 0.027(2) 0.0018(18) -0.0063(17) -0.0014(18)
C4 0.038(2) 0.025(3) 0.032(2) -0.0061(18) -0.0020(19) 0.002(2)
C5 0.029(2) 0.033(3) 0.025(2) -0.0032(18) 0.0021(17) 0.0053(19)
C6 0.019(2) 0.030(2) 0.020(2) -0.0011(17) -0.0020(16) 0.0020(17)
C7 0.023(2) 0.025(2) 0.021(2) 0.0005(17) -0.0038(16) 0.0024(17)
C8 0.027(2) 0.032(3) 0.027(2) -0.0002(18) 0.0035(18) 0.0037(19)
C9 0.020(2) 0.033(3) 0.032(2) 0.0084(19) 0.0019(17) -0.0054(18)
C10 0.026(2) 0.031(3) 0.026(2) 0.0050(18) -0.0044(17) -0.0024(19)
C11 0.028(2) 0.025(2) 0.024(2) -0.0013(17) -0.0018(17) 0.0002(18)
C12 0.021(2) 0.028(2) 0.021(2) 0.0032(17) -0.0022(16) 0.0018(17)
C13 0.020(2) 0.026(2) 0.024(2) -0.0015(17) -0.0004(16) 0.0017(17)
C14 0.034(2) 0.025(3) 0.045(3) -0.004(2) -0.006(2) -0.002(2)
C15 0.059(3) 0.046(4) 0.058(3) -0.005(3) -0.015(3) -0.016(3)
C16 0.046(3) 0.030(3) 0.068(4) 0.004(2) 0.004(3) 0.002(2)
C17 0.033(3) 0.035(3) 0.067(3) -0.002(2) 0.000(2) -0.006(2)
C18 0.027(2) 0.029(3) 0.034(2) 0.0054(19) -0.0018(18) -0.0061(19)
C19 0.056(3) 0.036(3) 0.047(3) 0.011(2) 0.000(2) -0.007(2)
C20 0.042(3) 0.048(4) 0.096(5) 0.005(3) -0.026(3) -0.013(3)
C21 0.059(3) 0.030(3) 0.054(3) -0.003(2) 0.012(3) -0.011(2)
C22 0.023(2) 0.024(2) 0.036(2) 0.0010(18) 0.0022(18) 0.0015(18)
C23 0.036(2) 0.032(3) 0.034(3) 0.000(2) 0.011(2) 0.010(2)
C24 0.031(2) 0.034(3) 0.026(2) 0.0014(19) -0.0002(18) 0.0009(19)
C25 0.064(4) 0.099(5) 0.049(3) 0.030(3) 0.037(3) 0.038(4)
C26 0.064(4) 0.102(6) 0.057(4) 0.041(3) 0.040(3) 0.033(4)
C27 0.036(3) 0.043(3) 0.027(2) 0.013(2) 0.0127(19) 0.003(2)
C28 0.032(3) 0.051(3) 0.033(3) 0.011(2) 0.005(2) -0.008(2)
C29 0.044(3) 0.039(3) 0.039(3) 0.003(2) 0.010(2) -0.003(2)
C30 0.036(3) 0.055(4) 0.041(3) 0.011(2) 0.009(2) 0.004(2)
C31 0.037(3) 0.061(4) 0.030(3) 0.010(2) -0.002(2) -0.002(2)
C32 0.040(3) 0.047(3) 0.031(3) 0.007(2) 0.011(2) -0.003(2)
C33 0.052(3) 0.065(4) 0.052(3) 0.007(3) -0.008(3) -0.015(3)
C34 0.059(4) 0.071(5) 0.077(4) 0.014(3) 0.003(3) 0.021(3)
C35 0.076(4) 0.055(4) 0.043(3) -0.001(3) 0.010(3) -0.004(3)
C36 0.035(3) 0.042(3) 0.031(3) 0.008(2) -0.0039(19) -0.005(2)
C37 0.036(2) 0.031(3) 0.036(3) 0.003(2) 0.007(2) 0.005(2)
C38 0.107(5) 0.100(6) 0.082(5) 0.015(4) -0.032(4) -0.069(5)
C39 0.057(3) 0.071(4) 0.039(3) 0.004(3) -0.009(2) 0.003(3)
C40 0.114(5) 0.040(4) 0.064(4) -0.013(3) -0.011(4) 0.009(4)
C41 0.037(3) 0.067(4) 0.041(3) -0.009(3) 0.002(2) 0.005(3)
C42 0.045(3) 0.052(4) 0.046(3) -0.007(2) -0.005(2) 0.013(3)
C43 0.060(3) 0.037(3) 0.075(4) -0.001(3) 0.006(3) 0.017(3)
C44 0.034(2) 0.031(3) 0.022(2) -0.0018(18) 0.0053(18) -0.0035(19)
C45 0.037(2) 0.038(3) 0.021(2) -0.0003(19) 0.0026(18) -0.008(2)
C46 0.043(3) 0.037(3) 0.026(2) -0.001(2) 0.000(2) 0.005(2)
C47 0.042(3) 0.049(3) 0.028(2) -0.003(2) -0.013(2) 0.007(2)
C48 0.036(3) 0.041(3) 0.030(2) -0.007(2) -0.0023(19) -0.003(2)
C49 0.034(2) 0.030(3) 0.021(2) -0.0055(18) 0.0036(17) 0.0003(19)
C50 0.030(2) 0.035(3) 0.022(2) -0.0055(18) 0.0055(17) -0.002(2)
C51 0.036(3) 0.036(3) 0.038(3) -0.008(2) 0.006(2) -0.006(2)
C52 0.046(3) 0.029(3) 0.050(3) -0.003(2) 0.013(2) -0.005(2)
C53 0.041(3) 0.035(3) 0.041(3) 0.004(2) 0.012(2) 0.006(2)
C54 0.034(2) 0.038(3) 0.028(2) 0.001(2) 0.0057(19) 0.009(2)
C55 0.026(2) 0.036(3) 0.023(2) -0.0040(18) 0.0067(17) 0.0020(19)
C56 0.026(2) 0.033(3) 0.024(2) -0.0047(18) 0.0078(17) -0.0001(19)
C57 0.050(3) 0.044(3) 0.034(3) 0.007(2) 0.000(2) 0.003(2)
C61 0.064(4) 0.034(3) 0.065(4) 0.008(3) 0.007(3) 0.011(3)
C62 0.103(5) 0.049(4) 0.093(5) 0.004(3) 0.013(4) 0.036(4)
C63 0.062(4) 0.053(4) 0.114(5) 0.024(4) -0.017(4) 0.014(3)
C64 0.093(5) 0.043(4) 0.078(4) 0.024(3) 0.007(4) -0.002(3)
C65 0.033(2) 0.038(3) 0.031(2) 0.007(2) 0.0045(19) -0.001(2)
C66 0.040(3) 0.038(3) 0.037(3) 0.003(2) 0.002(2) -0.013(2)
C67 0.035(2) 0.036(3) 0.022(2) -0.0007(18) -0.0007(18) -0.002(2)
C68 0.031(3) 0.089(5) 0.036(3) 0.000(3) -0.012(2) -0.018(3)
C69 0.037(3) 0.099(5) 0.028(3) 0.008(3) -0.010(2) -0.017(3)
C70 0.031(2) 0.040(3) 0.024(2) 0.002(2) -0.0049(18) -0.002(2)
C71 0.043(3) 0.042(3) 0.028(3) -0.003(2) -0.004(2) 0.004(2)
C72 0.039(3) 0.064(4) 0.034(3) 0.001(2) -0.003(2) 0.014(3)
C73 0.026(2) 0.070(4) 0.033(3) 0.013(3) -0.006(2) -0.003(2)
C74 0.046(3) 0.040(3) 0.048(3) 0.018(2) -0.018(2) -0.007(2)
C75 0.039(3) 0.046(3) 0.025(2) 0.004(2) -0.0100(19) 0.008(2)
C76 0.079(4) 0.043(4) 0.051(3) -0.007(3) 0.004(3) 0.003(3)
C77 0.034(3) 0.128(6) 0.065(4) 0.036(4) 0.001(3) -0.017(3)
C78 0.065(4) 0.047(4) 0.050(3) 0.003(3) -0.012(3) 0.013(3)
C79 0.041(3) 0.043(3) 0.034(3) -0.001(2) 0.000(2) 0.010(2)
C80 0.041(3) 0.045(3) 0.029(2) 0.006(2) -0.002(2) -0.005(2)
C81 0.131(4) 0.108(5) 0.118(4) -0.018(4) -0.011(4) 0.050(4)
C82 0.088(4) 0.111(4) 0.079(4) -0.020(3) 0.012(3) 0.012(3)
C83 0.125(4) 0.082(4) 0.091(4) -0.011(3) -0.016(3) -0.012(4)
C84 0.061(3) 0.100(4) 0.114(4) 0.017(3) 0.016(3) 0.005(3)
C85 0.081(4) 0.086(4) 0.079(4) 0.015(3) 0.017(3) -0.020(3)
C86 0.067(3) 0.113(4) 0.076(4) -0.015(3) 0.006(3) -0.024(3)
Lu1 0.02176(9) 0.02615(11) 0.02142(10) 0.00069(7) 0.00168(7) 0.00086(7)
Lu2 0.02505(10) 0.03130(12) 0.02131(10) -0.00211(7) 0.00106(7) 0.00109(8)
N1 0.040(2) 0.042(3) 0.028(2) 0.0054(17) 0.0131(16) 0.0092(18)
N2 0.038(2) 0.053(3) 0.035(2) 0.0152(19) 0.0122(17) 0.011(2)
N3 0.029(2) 0.052(3) 0.026(2) 0.0011(17) -0.0020(15) -0.0098(18)
N4 0.030(2) 0.052(3) 0.024(2) 0.0002(17) -0.0033(15) -0.0052(18)
Si1 0.0566(9) 0.0399(9) 0.0406(8) 0.0036(6) -0.0129(7) -0.0173(7)
Si2 0.0345(7) 0.0294(7) 0.0371(7) -0.0025(5) 0.0030(5) 0.0074(6)
Si3 0.0792(11) 0.0630(12) 0.0536(10) -0.0185(8) -0.0113(8) 0.0355(9)
Si4 0.0373(8) 0.0644(11) 0.0437(8) 0.0061(7) 0.0056(6) -0.0090(7)
C58 0.136(4) 0.089(4) 0.076(4) 0.020(3) 0.000(3) 0.015(4)
C59 0.101(4) 0.082(4) 0.129(4) 0.019(4) 0.028(4) 0.009(3)
C60 0.100(4) 0.081(4) 0.106(4) 0.041(3) -0.015(3) -0.013(3)

_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 C2 1.419(5) . ?
C1 C13 1.428(5) . ?
C1 C6 1.441(5) . ?
C1 Lu1 2.653(4) . ?
C2 C3 1.366(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.426(6) . ?
C3 C14 1.538(6) . ?
C4 C5 1.364(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.415(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.435(5) . ?
C6 Lu1 2.696(4) . ?
C7 C8 1.404(5) . ?
C7 C12 1.445(5) . ?
C7 Lu1 2.719(4) . ?
C8 C9 1.361(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.433(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.368(5) . ?
C10 C18 1.528(6) . ?
C11 C12 1.415(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.436(5) . ?
C12 Lu1 2.697(4) . ?
C13 C22 1.499(5) . ?
C13 Lu1 2.618(4) . ?
C14 C15 1.530(6) . ?
C14 C16 1.531(6) . ?
C14 C17 1.533(6) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C21 1.528(6) . ?
C18 C19 1.535(6) . ?
C18 C20 1.537(6) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.531(6) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 N1 1.461(5) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 N1 1.354(5) . ?
C24 N2 1.363(5) . ?
C24 Lu1 2.482(4) . ?
C25 C26 1.342(7) . ?
C25 N1 1.379(5) . ?
C25 H25 0.9300 . ?
C26 N2 1.380(6) . ?
C26 H26 0.9300 . ?
C27 C28 1.384(7) . ?
C27 C32 1.388(6) . ?
C27 N2 1.442(5) . ?
C28 C29 1.387(6) . ?
C28 C33 1.503(6) . ?
C29 C30 1.380(6) . ?
C29 H29 0.9300 . ?
C30 C31 1.384(7) . ?
C30 C34 1.503(7) . ?
C31 C32 1.396(6) . ?
C31 H31 0.9300 . ?
C32 C35 1.501(7) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 Si1 1.824(4) . ?
C36 Lu1 2.317(4) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 Si2 1.839(4) . ?
C37 Lu1 2.293(4) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 Si1 1.890(6) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 Si1 1.868(5) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 Si1 1.876(6) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 Si2 1.868(5) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 Si2 1.878(5) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 Si2 1.871(5) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 C45 1.398(6) . ?
C44 C56 1.431(6) . ?
C44 C49 1.444(6) . ?
C44 Lu2 2.690(4) . ?
C45 C46 1.375(6) . ?
C45 H45 0.9300 . ?
C46 C47 1.419(6) . ?
C46 C57 1.537(6) . ?
C47 C48 1.377(6) . ?
C47 H47 0.9300 . ?
C48 C49 1.408(6) . ?
C48 H48 0.9300 . ?
C49 C50 1.433(6) . ?
C49 Lu2 2.660(4) . ?
C50 C51 1.413(6) . ?
C50 C55 1.442(5) . ?
C50 Lu2 2.666(4) . ?
C51 C52 1.370(6) . ?
C51 H51 0.9300 . ?
C52 C53 1.411(6) . ?
C52 H52 0.9300 . ?
C53 C54 1.365(6) . ?
C53 C61 1.544(7) . ?
C54 C55 1.428(6) . ?
C54 H54 0.9300 . ?
C55 C56 1.429(6) . ?
C55 Lu2 2.674(4) . ?
C56 C65 1.512(6) . ?
C56 Lu2 2.652(4) . ?
C57 C59 1.479(8) . ?
C57 C60 1.507(8) . ?
C57 C58 1.511(7) . ?
C61 C62 1.534(7) . ?
C61 C63 1.534(7) . ?
C61 C64 1.540(7) . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 C66 1.510(6) . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C66 N3 1.466(5) . ?
C66 H66A 0.9700 . ?
C66 H66B 0.9700 . ?
C67 N3 1.364(5) . ?
C67 N4 1.367(5) . ?
C67 Lu2 2.493(4) . ?
C68 C69 1.343(6) . ?
C68 N3 1.373(5) . ?
C68 H68 0.9300 . ?
C69 N4 1.377(5) . ?
C69 H69 0.9300 . ?
C70 C71 1.375(6) . ?
C70 C75 1.389(6) . ?
C70 N4 1.444(5) . ?
C71 C72 1.388(6) . ?
C71 C76 1.503(7) . ?
C72 C73 1.372(7) . ?
C72 H72 0.9300 . ?
C73 C74 1.370(7) . ?
C73 C77 1.516(6) . ?
C74 C75 1.391(6) . ?
C74 H74 0.9300 . ?
C75 C78 1.502(6) . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 Si3 1.814(5) . ?
C79 Lu2 2.315(4) . ?
C79 H79A 0.9700 . ?
C79 H79B 0.9700 . ?
C80 Si4 1.832(4) . ?
C80 Lu2 2.308(4) . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C81 Si3 1.876(7) . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
C82 Si3 1.872(6) . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
C83 Si3 1.869(7) . ?
C83 H83A 0.9600 . ?
C83 H83B 0.9600 . ?
C83 H83C 0.9600 . ?
C84 Si4 1.859(6) . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C85 Si4 1.867(6) . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C86 Si4 1.881(6) . ?
C86 H86A 0.9600 . ?
C86 H86B 0.9600 . ?
C86 H86C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?

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
C2 C1 C13 132.4(4) . . ?
C2 C1 C6 118.4(4) . . ?
C13 C1 C6 109.2(3) . . ?
C2 C1 Lu1 117.4(3) . . ?
C13 C1 Lu1 72.9(2) . . ?
C6 C1 Lu1 76.0(2) . . ?
C3 C2 C1 121.4(4) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C2 C3 C4 118.7(4) . . ?
C2 C3 C14 123.5(4) . . ?
C4 C3 C14 117.8(4) . . ?
C5 C4 C3 122.7(4) . . ?
C5 C4 H4 118.6 . . ?
C3 C4 H4 118.6 . . ?
C4 C5 C6 118.9(4) . . ?
C4 C5 H5 120.5 . . ?
C6 C5 H5 120.5 . . ?
C5 C6 C7 132.5(4) . . ?
C5 C6 C1 119.8(4) . . ?
C7 C6 C1 107.5(3) . . ?
C5 C6 Lu1 121.8(3) . . ?
C7 C6 Lu1 75.5(2) . . ?
C1 C6 Lu1 72.7(2) . . ?
C8 C7 C6 133.7(4) . . ?
C8 C7 C12 118.7(4) . . ?
C6 C7 C12 107.5(3) . . ?
C8 C7 Lu1 120.7(3) . . ?
C6 C7 Lu1 73.7(2) . . ?
C12 C7 Lu1 73.7(2) . . ?
C9 C8 C7 120.2(4) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C8 C9 C10 122.6(4) . . ?
C8 C9 H9 118.7 . . ?
C10 C9 H9 118.7 . . ?
C11 C10 C9 117.8(4) . . ?
C11 C10 C18 123.7(4) . . ?
C9 C10 C18 118.4(4) . . ?
C10 C11 C12 121.8(4) . . ?
C10 C11 H11 119.1 . . ?
C12 C11 H11 119.1 . . ?
C11 C12 C13 132.3(4) . . ?
C11 C12 C7 119.0(3) . . ?
C13 C12 C7 108.7(4) . . ?
C11 C12 Lu1 119.9(2) . . ?
C13 C12 Lu1 71.3(2) . . ?
C7 C12 Lu1 75.4(2) . . ?
C1 C13 C12 106.9(3) . . ?
C1 C13 C22 127.9(4) . . ?
C12 C13 C22 124.3(4) . . ?
C1 C13 Lu1 75.7(2) . . ?
C12 C13 Lu1 77.4(2) . . ?
C22 C13 Lu1 121.3(2) . . ?
C15 C14 C16 109.5(4) . . ?
C15 C14 C17 108.0(4) . . ?
C16 C14 C17 107.8(4) . . ?
C15 C14 C3 109.5(4) . . ?
C16 C14 C3 109.8(3) . . ?
C17 C14 C3 112.1(4) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C21 C18 C10 111.9(3) . . ?
C21 C18 C19 108.1(4) . . ?
C10 C18 C19 110.3(3) . . ?
C21 C18 C20 107.9(4) . . ?
C10 C18 C20 109.4(4) . . ?
C19 C18 C20 109.1(4) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C13 C22 C23 115.1(3) . . ?
C13 C22 H22A 108.5 . . ?
C23 C22 H22A 108.5 . . ?
C13 C22 H22B 108.5 . . ?
C23 C22 H22B 108.5 . . ?
H22A C22 H22B 107.5 . . ?
N1 C23 C22 112.0(4) . . ?
N1 C23 H23A 109.2 . . ?
C22 C23 H23A 109.2 . . ?
N1 C23 H23B 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
N1 C24 N2 103.5(4) . . ?
N1 C24 Lu1 123.6(3) . . ?
N2 C24 Lu1 132.4(3) . . ?
C26 C25 N1 106.6(4) . . ?
C26 C25 H25 126.7 . . ?
N1 C25 H25 126.7 . . ?
C25 C26 N2 106.7(4) . . ?
C25 C26 H26 126.6 . . ?
N2 C26 H26 126.6 . . ?
C28 C27 C32 122.7(4) . . ?
C28 C27 N2 119.4(4) . . ?
C32 C27 N2 117.8(4) . . ?
C27 C28 C29 117.3(4) . . ?
C27 C28 C33 121.5(4) . . ?
C29 C28 C33 121.3(5) . . ?
C30 C29 C28 122.9(5) . . ?
C30 C29 H29 118.5 . . ?
C28 C29 H29 118.5 . . ?
C29 C30 C31 117.5(5) . . ?
C29 C30 C34 121.0(5) . . ?
C31 C30 C34 121.4(5) . . ?
C30 C31 C32 122.4(4) . . ?
C30 C31 H31 118.8 . . ?
C32 C31 H31 118.8 . . ?
C27 C32 C31 117.1(5) . . ?
C27 C32 C35 121.7(5) . . ?
C31 C32 C35 121.0(5) . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C30 C34 H34A 109.5 . . ?
C30 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C30 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si1 C36 Lu1 127.6(2) . . ?
Si1 C36 H36A 105.4 . . ?
Lu1 C36 H36A 105.4 . . ?
Si1 C36 H36B 105.4 . . ?
Lu1 C36 H36B 105.4 . . ?
H36A C36 H36B 106.0 . . ?
Si2 C37 Lu1 128.5(2) . . ?
Si2 C37 H37A 105.2 . . ?
Lu1 C37 H37A 105.2 . . ?
Si2 C37 H37B 105.2 . . ?
Lu1 C37 H37B 105.2 . . ?
H37A C37 H37B 105.9 . . ?
Si1 C38 H38A 109.5 . . ?
Si1 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si1 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si1 C39 H39A 109.5 . . ?
Si1 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si1 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si1 C40 H40A 109.5 . . ?
Si1 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si1 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si2 C41 H41A 109.5 . . ?
Si2 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si2 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si2 C42 H42A 109.5 . . ?
Si2 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si2 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si2 C43 H43A 109.5 . . ?
Si2 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si2 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C56 131.2(4) . . ?
C45 C44 C49 120.5(4) . . ?
C56 C44 C49 108.3(4) . . ?
C45 C44 Lu2 121.1(3) . . ?
C56 C44 Lu2 73.0(2) . . ?
C49 C44 Lu2 73.2(2) . . ?
C46 C45 C44 120.9(4) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C45 C46 C47 118.4(4) . . ?
C45 C46 C57 122.1(4) . . ?
C47 C46 C57 119.5(4) . . ?
C48 C47 C46 122.6(4) . . ?
C48 C47 H47 118.7 . . ?
C46 C47 H47 118.7 . . ?
C47 C48 C49 119.6(4) . . ?
C47 C48 H48 120.2 . . ?
C49 C48 H48 120.2 . . ?
C48 C49 C50 134.0(4) . . ?
C48 C49 C44 118.0(4) . . ?
C50 C49 C44 107.8(4) . . ?
C48 C49 Lu2 119.8(3) . . ?
C50 C49 Lu2 74.6(2) . . ?
C44 C49 Lu2 75.5(2) . . ?
C51 C50 C49 133.8(4) . . ?
C51 C50 C55 118.5(4) . . ?
C49 C50 C55 107.5(4) . . ?
C51 C50 Lu2 121.4(3) . . ?
C49 C50 Lu2 74.2(2) . . ?
C55 C50 Lu2 74.6(2) . . ?
C52 C51 C50 119.9(4) . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C51 C52 C53 122.3(5) . . ?
C51 C52 H52 118.8 . . ?
C53 C52 H52 118.8 . . ?
C54 C53 C52 119.3(4) . . ?
C54 C53 C61 121.7(4) . . ?
C52 C53 C61 119.0(4) . . ?
C53 C54 C55 120.7(4) . . ?
C53 C54 H54 119.7 . . ?
C55 C54 H54 119.7 . . ?
C54 C55 C56 132.0(4) . . ?
C54 C55 C50 119.2(4) . . ?
C56 C55 C50 108.7(4) . . ?
C54 C55 Lu2 120.4(3) . . ?
C56 C55 Lu2 73.6(2) . . ?
C50 C55 Lu2 74.0(2) . . ?
C55 C56 C44 107.6(4) . . ?
C55 C56 C65 128.1(4) . . ?
C44 C56 C65 123.5(4) . . ?
C55 C56 Lu2 75.3(2) . . ?
C44 C56 Lu2 75.9(2) . . ?
C65 C56 Lu2 123.0(3) . . ?
C59 C57 C60 108.3(5) . . ?
C59 C57 C58 108.1(5) . . ?
C60 C57 C58 105.9(5) . . ?
C59 C57 C46 111.8(5) . . ?
C60 C57 C46 113.1(4) . . ?
C58 C57 C46 109.3(5) . . ?
C62 C61 C63 108.8(5) . . ?
C62 C61 C64 109.1(5) . . ?
C63 C61 C64 108.2(5) . . ?
C62 C61 C53 108.0(4) . . ?
C63 C61 C53 112.9(4) . . ?
C64 C61 C53 109.8(4) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 C56 113.8(4) . . ?
C66 C65 H65A 108.8 . . ?
C56 C65 H65A 108.8 . . ?
C66 C65 H65B 108.8 . . ?
C56 C65 H65B 108.8 . . ?
H65A C65 H65B 107.7 . . ?
N3 C66 C65 112.0(4) . . ?
N3 C66 H66A 109.2 . . ?
C65 C66 H66A 109.2 . . ?
N3 C66 H66B 109.2 . . ?
C65 C66 H66B 109.2 . . ?
H66A C66 H66B 107.9 . . ?
N3 C67 N4 102.3(3) . . ?
N3 C67 Lu2 124.8(3) . . ?
N4 C67 Lu2 131.0(3) . . ?
C69 C68 N3 106.5(4) . . ?
C69 C68 H68 126.7 . . ?
N3 C68 H68 126.7 . . ?
C68 C69 N4 106.6(4) . . ?
C68 C69 H69 126.7 . . ?
N4 C69 H69 126.7 . . ?
C71 C70 C75 122.8(4) . . ?
C71 C70 N4 118.6(4) . . ?
C75 C70 N4 118.5(4) . . ?
C70 C71 C72 117.4(5) . . ?
C70 C71 C76 121.6(4) . . ?
C72 C71 C76 120.9(4) . . ?
C73 C72 C71 122.1(5) . . ?
C73 C72 H72 118.9 . . ?
C71 C72 H72 118.9 . . ?
C74 C73 C72 118.4(4) . . ?
C74 C73 C77 119.8(5) . . ?
C72 C73 C77 121.8(5) . . ?
C73 C74 C75 122.4(5) . . ?
C73 C74 H74 118.8 . . ?
C75 C74 H74 118.8 . . ?
C70 C75 C74 116.7(4) . . ?
C70 C75 C78 121.7(4) . . ?
C74 C75 C78 121.6(5) . . ?
C71 C76 H76A 109.5 . . ?
C71 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C71 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C73 C77 H77A 109.5 . . ?
C73 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C73 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C75 C78 H78A 109.5 . . ?
C75 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C75 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
Si3 C79 Lu2 125.9(2) . . ?
Si3 C79 H79A 105.8 . . ?
Lu2 C79 H79A 105.8 . . ?
Si3 C79 H79B 105.8 . . ?
Lu2 C79 H79B 105.8 . . ?
H79A C79 H79B 106.2 . . ?
Si4 C80 Lu2 136.5(2) . . ?
Si4 C80 H80A 103.0 . . ?
Lu2 C80 H80A 103.0 . . ?
Si4 C80 H80B 103.0 . . ?
Lu2 C80 H80B 103.0 . . ?
H80A C80 H80B 105.1 . . ?
Si3 C81 H81A 109.5 . . ?
Si3 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
Si3 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
Si3 C82 H82A 109.5 . . ?
Si3 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
Si3 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
Si3 C83 H83A 109.5 . . ?
Si3 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
Si3 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
Si4 C84 H84A 109.5 . . ?
Si4 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
Si4 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
Si4 C85 H85A 109.5 . . ?
Si4 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
Si4 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
Si4 C86 H86A 109.5 . . ?
Si4 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
Si4 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C37 Lu1 C36 106.43(16) . . ?
C37 Lu1 C24 103.38(15) . . ?
C36 Lu1 C24 109.65(14) . . ?
C37 Lu1 C13 132.08(15) . . ?
C36 Lu1 C13 118.02(14) . . ?
C24 Lu1 C13 78.61(13) . . ?
C37 Lu1 C1 101.17(14) . . ?
C36 Lu1 C1 140.47(13) . . ?
C24 Lu1 C1 90.40(13) . . ?
C13 Lu1 C1 31.43(12) . . ?
C37 Lu1 C6 91.30(14) . . ?
C36 Lu1 C6 119.67(13) . . ?
C24 Lu1 C6 121.60(12) . . ?
C13 Lu1 C6 52.20(12) . . ?
C1 Lu1 C6 31.24(11) . . ?
C37 Lu1 C12 141.86(14) . . ?
C36 Lu1 C12 90.74(14) . . ?
C24 Lu1 C12 102.28(13) . . ?
C13 Lu1 C12 31.31(11) . . ?
C1 Lu1 C12 50.95(12) . . ?
C6 Lu1 C12 51.01(12) . . ?
C37 Lu1 C7 112.95(14) . . ?
C36 Lu1 C7 91.65(13) . . ?
C24 Lu1 C7 130.34(12) . . ?
C13 Lu1 C7 52.01(11) . . ?
C1 Lu1 C7 51.12(12) . . ?
C6 Lu1 C7 30.73(11) . . ?
C12 Lu1 C7 30.94(11) . . ?
C80 Lu2 C79 104.56(17) . . ?
C80 Lu2 C67 104.21(14) . . ?
C79 Lu2 C67 112.49(15) . . ?
C80 Lu2 C56 132.78(15) . . ?
C79 Lu2 C56 118.74(15) . . ?
C67 Lu2 C56 76.94(13) . . ?
C80 Lu2 C49 113.06(15) . . ?
C79 Lu2 C49 91.13(14) . . ?
C67 Lu2 C49 128.79(13) . . ?
C56 Lu2 C49 52.06(12) . . ?
C80 Lu2 C50 91.54(15) . . ?
C79 Lu2 C50 119.40(14) . . ?
C67 Lu2 C50 119.30(13) . . ?
C56 Lu2 C50 52.05(12) . . ?
C49 Lu2 C50 31.22(12) . . ?
C80 Lu2 C55 102.07(15) . . ?
C79 Lu2 C55 140.62(14) . . ?
C67 Lu2 C55 88.03(13) . . ?
C56 Lu2 C55 31.12(12) . . ?
C49 Lu2 C55 51.52(12) . . ?
C50 Lu2 C55 31.33(12) . . ?
C80 Lu2 C44 142.43(15) . . ?
C79 Lu2 C44 91.17(14) . . ?
C67 Lu2 C44 100.64(13) . . ?
C56 Lu2 C44 31.06(12) . . ?
C49 Lu2 C44 31.32(12) . . ?
C50 Lu2 C44 51.45(13) . . ?
C55 Lu2 C44 50.95(13) . . ?
C24 N1 C25 111.8(4) . . ?
C24 N1 C23 125.5(3) . . ?
C25 N1 C23 122.7(4) . . ?
C24 N2 C26 111.3(4) . . ?
C24 N2 C27 126.9(4) . . ?
C26 N2 C27 121.6(4) . . ?
C67 N3 C68 112.5(4) . . ?
C67 N3 C66 124.2(3) . . ?
C68 N3 C66 123.3(4) . . ?
C67 N4 C69 112.1(4) . . ?
C67 N4 C70 125.4(3) . . ?
C69 N4 C70 122.2(3) . . ?
C36 Si1 C39 111.7(2) . . ?
C36 Si1 C40 108.3(2) . . ?
C39 Si1 C40 110.7(3) . . ?
C36 Si1 C38 114.2(2) . . ?
C39 Si1 C38 104.6(3) . . ?
C40 Si1 C38 107.1(3) . . ?
C37 Si2 C41 110.1(2) . . ?
C37 Si2 C43 112.1(2) . . ?
C41 Si2 C43 107.6(2) . . ?
C37 Si2 C42 110.9(2) . . ?
C41 Si2 C42 109.4(2) . . ?
C43 Si2 C42 106.6(2) . . ?
C79 Si3 C83 109.5(3) . . ?
C79 Si3 C82 109.4(3) . . ?
C83 Si3 C82 110.6(3) . . ?
C79 Si3 C81 114.7(3) . . ?
C83 Si3 C81 106.7(4) . . ?
C82 Si3 C81 105.8(3) . . ?
C80 Si4 C84 112.7(3) . . ?
C80 Si4 C85 112.7(2) . . ?
C84 Si4 C85 106.1(3) . . ?
C80 Si4 C86 111.4(2) . . ?
C84 Si4 C86 107.4(3) . . ?
C85 Si4 C86 106.2(3) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.05
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.194
_refine_diff_density_min         -0.591
_refine_diff_density_rms         0.102