# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

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

data_masa826
_database_code_depnum_ccdc_archive 'CCDC 1030690'
_audit_update_record             
;
2014-10-23 deposited with the CCDC.
2015-02-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C56 H80 Pb2 Si4, 2(C4 H8 O), C6 H14, 2(Li)'
_chemical_formula_sum            'C70 H110 Li2 O2 Pb2 Si4 '
_chemical_formula_weight         1524.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.2658(10)
_cell_length_b                   16.7325(13)
_cell_length_c                   20.3750(16)
_cell_angle_alpha                99.2540(10)
_cell_angle_beta                 107.1500(10)
_cell_angle_gamma                107.8820(10)
_cell_volume                     3654.6(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9985
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      27.93

_exptl_crystal_description       cube
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1544
_exptl_absorpt_coefficient_mu    4.705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.829
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_process_details   'XPREP; Bruker AXS 2008'

_exptl_special_details           
; 
'SADABS-2008/1 - Bruker AXS 2008'
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27468
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.09
_diffrn_reflns_theta_max         25.50
_reflns_number_total             13609
_reflns_number_gt                10861
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2 (Bruker 2008)'
_computing_cell_refinement       'Bruker SAINT (Bruker 2008)'
_computing_data_reduction        'Bruker SAINT and XPREP (Bruker 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics    'XSHEL (Bruker, 2002)'
_computing_publication_material  'XCIF (Bruker, 2001)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0380P)²+2.1964P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13609
_refine_ls_number_parameters     731
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0301
_refine_ls_wR_factor_ref         0.0738
_refine_ls_wR_factor_gt          0.0675
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.003
_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
Pb1 Pb 0.782346(15) 0.921353(11) 0.801190(9) 0.02244(5) Uani 1 1 d . . .
C1 C 0.7293(4) 0.7908(3) 0.7176(2) 0.0214(9) Uani 1 1 d . . .
C2 C 0.6338(4) 0.7266(3) 0.7234(2) 0.0209(9) Uani 1 1 d . . .
C3 C 0.5645(4) 0.7482(3) 0.7681(2) 0.0220(10) Uani 1 1 d . . .
C4 C 0.6010(4) 0.8329(3) 0.8082(2) 0.0221(10) Uani 1 1 d . . .
Pb2 Pb 0.696846(14) 1.024890(10) 0.689285(9) 0.02089(5) Uani 1 1 d . . .
C5 C 0.8366(4) 1.1645(3) 0.7525(2) 0.0239(10) Uani 1 1 d . . .
C6 C 0.7737(4) 1.2168(3) 0.7677(2) 0.0214(10) Uani 1 1 d . . .
C7 C 0.6414(4) 1.1777(3) 0.7591(2) 0.0198(9) Uani 1 1 d . . .
C8 C 0.5784(4) 1.0893(3) 0.7304(2) 0.0192(9) Uani 1 1 d . . .
Si1 Si 0.82560(11) 0.77803(8) 0.66363(7) 0.0227(3) Uani 1 1 d . . .
C9 C 0.8590(5) 0.8745(3) 0.6270(3) 0.0330(12) Uani 1 1 d . . .
H1 H 0.9083 0.8697 0.5989 0.049 Uiso 1 1 calc R . .
H2 H 0.9028 0.9270 0.6657 0.049 Uiso 1 1 calc R . .
H3 H 0.7830 0.8763 0.5976 0.049 Uiso 1 1 calc R . .
C10 C 0.7508(5) 0.6780(3) 0.5847(3) 0.0354(12) Uani 1 1 d . . .
H4 H 0.7319 0.6266 0.6010 0.053 Uiso 1 1 calc R . .
H5 H 0.8061 0.6773 0.5599 0.053 Uiso 1 1 calc R . .
H6 H 0.6763 0.6793 0.5529 0.053 Uiso 1 1 calc R . .
C11 C 0.9809(4) 0.7771(3) 0.7191(3) 0.0305(11) Uani 1 1 d . . .
C12 C 1.0522(5) 0.7658(4) 0.6691(3) 0.0514(16) Uani 1 1 d . . .
H7 H 1.0640 0.8131 0.6475 0.077 Uiso 1 1 calc R . .
H8 H 1.0059 0.7114 0.6325 0.077 Uiso 1 1 calc R . .
H9 H 1.1308 0.7659 0.6964 0.077 Uiso 1 1 calc R . .
C13 C 0.9654(5) 0.7000(4) 0.7519(3) 0.0395(13) Uani 1 1 d . . .
H10 H 0.9171 0.6464 0.7146 0.059 Uiso 1 1 calc R . .
H11 H 0.9246 0.7059 0.7849 0.059 Uiso 1 1 calc R . .
H12 H 1.0449 0.6995 0.7766 0.059 Uiso 1 1 calc R . .
C14 C 1.0583(5) 0.8623(4) 0.7796(3) 0.0474(15) Uani 1 1 d . . .
H13 H 1.0688 0.9111 0.7597 0.071 Uiso 1 1 calc R . .
H14 H 1.1375 0.8613 0.8043 0.071 Uiso 1 1 calc R . .
H15 H 1.0171 0.8677 0.8124 0.071 Uiso 1 1 calc R . .
C15 C 0.5940(4) 0.6313(3) 0.6852(2) 0.0217(10) Uani 1 1 d . . .
C16 C 0.4991(4) 0.5919(3) 0.6197(3) 0.0316(11) Uani 1 1 d . . .
H16 H 0.4560 0.6243 0.5992 0.038 Uiso 1 1 calc R . .
C17 C 0.4661(5) 0.5057(3) 0.5834(3) 0.0426(14) Uani 1 1 d . . .
H17 H 0.4019 0.4809 0.5391 0.051 Uiso 1 1 calc R . .
C18 C 0.5281(5) 0.4569(3) 0.6128(3) 0.0461(15) Uani 1 1 d . . .
H18 H 0.5071 0.3992 0.5882 0.055 Uiso 1 1 calc R . .
C19 C 0.6218(5) 0.4935(3) 0.6789(3) 0.0422(14) Uani 1 1 d . . .
H19 H 0.6631 0.4601 0.6992 0.051 Uiso 1 1 calc R . .
C20 C 0.6550(4) 0.5799(3) 0.7153(3) 0.0309(11) Uani 1 1 d . . .
H20 H 0.7180 0.6039 0.7600 0.037 Uiso 1 1 calc R . .
C21 C 0.4522(4) 0.6756(3) 0.7648(2) 0.0227(10) Uani 1 1 d . . .
C22 C 0.3361(4) 0.6735(3) 0.7285(3) 0.0295(11) Uani 1 1 d . . .
H21 H 0.3288 0.7170 0.7064 0.035 Uiso 1 1 calc R . .
C23 C 0.2303(5) 0.6077(3) 0.7243(3) 0.0396(13) Uani 1 1 d . . .
H22 H 0.1533 0.6078 0.6996 0.047 Uiso 1 1 calc R . .
C24 C 0.2391(5) 0.5426(3) 0.7564(3) 0.0426(14) Uani 1 1 d . . .
H23 H 0.1684 0.4983 0.7534 0.051 Uiso 1 1 calc R . .
C25 C 0.3544(5) 0.5436(3) 0.7933(3) 0.0438(14) Uani 1 1 d . . .
H24 H 0.3610 0.5001 0.8156 0.053 Uiso 1 1 calc R . .
C26 C 0.4607(5) 0.6095(3) 0.7972(3) 0.0331(12) Uani 1 1 d . . .
H25 H 0.5376 0.6091 0.8216 0.040 Uiso 1 1 calc R . .
Si2 Si 0.55506(12) 0.87376(9) 0.88201(7) 0.0261(3) Uani 1 1 d . . .
C27 C 0.5829(5) 0.9921(3) 0.8914(3) 0.0385(13) Uani 1 1 d . . .
H26 H 0.5596 1.0142 0.9295 0.058 Uiso 1 1 calc R . .
H27 H 0.5347 0.9987 0.8476 0.058 Uiso 1 1 calc R . .
H28 H 0.6686 1.0241 0.9021 0.058 Uiso 1 1 calc R . .
C28 C 0.3902(5) 0.8184(4) 0.8727(3) 0.0422(14) Uani 1 1 d . . .
H29 H 0.3776 0.8449 0.9138 0.063 Uiso 1 1 calc R . .
H30 H 0.3726 0.7575 0.8691 0.063 Uiso 1 1 calc R . .
H31 H 0.3364 0.8245 0.8305 0.063 Uiso 1 1 calc R . .
C29 C 0.6592(5) 0.8682(3) 0.9713(3) 0.0355(12) Uani 1 1 d . . .
C30 C 0.6550(6) 0.7756(4) 0.9665(3) 0.0554(17) Uani 1 1 d . . .
H32 H 0.5714 0.7364 0.9532 0.083 Uiso 1 1 calc R . .
H33 H 0.7039 0.7732 1.0121 0.083 Uiso 1 1 calc R . .
H34 H 0.6872 0.7588 0.9312 0.083 Uiso 1 1 calc R . .
C31 C 0.6118(6) 0.8949(5) 1.0302(3) 0.0560(17) Uani 1 1 d . . .
H35 H 0.6145 0.9535 1.0342 0.084 Uiso 1 1 calc R . .
H36 H 0.6628 0.8921 1.0750 0.084 Uiso 1 1 calc R . .
H37 H 0.5285 0.8558 1.0182 0.084 Uiso 1 1 calc R . .
C32 C 0.7933(5) 0.9308(4) 0.9934(3) 0.0508(16) Uani 1 1 d . . .
H38 H 0.7964 0.9894 0.9969 0.076 Uiso 1 1 calc R . .
H39 H 0.8257 0.9142 0.9582 0.076 Uiso 1 1 calc R . .
H40 H 0.8415 0.9277 1.0389 0.076 Uiso 1 1 calc R . .
Si3 Si 1.00172(11) 1.19976(8) 0.76245(7) 0.0231(3) Uani 1 1 d . . .
C33 C 1.0650(4) 1.1233(3) 0.8026(3) 0.0313(11) Uani 1 1 d . . .
H41 H 1.1502 1.1401 0.8083 0.047 Uiso 1 1 calc R . .
H42 H 1.0199 1.0649 0.7717 0.047 Uiso 1 1 calc R . .
H43 H 1.0576 1.1254 0.8484 0.047 Uiso 1 1 calc R . .
C34 C 1.1043(4) 1.3118(3) 0.8255(3) 0.0356(12) Uani 1 1 d . . .
H44 H 1.1871 1.3245 0.8274 0.053 Uiso 1 1 calc R . .
H45 H 1.1023 1.3130 0.8724 0.053 Uiso 1 1 calc R . .
H46 H 1.0754 1.3547 0.8088 0.053 Uiso 1 1 calc R . .
C35 C 1.0229(4) 1.1951(3) 0.6724(3) 0.0292(11) Uani 1 1 d . . .
C36 C 0.9400(5) 1.2317(4) 0.6249(3) 0.0396(13) Uani 1 1 d . . .
H47 H 0.9575 1.2908 0.6494 0.059 Uiso 1 1 calc R . .
H48 H 0.8553 1.1968 0.6143 0.059 Uiso 1 1 calc R . .
H49 H 0.9552 1.2306 0.5812 0.059 Uiso 1 1 calc R . .
C37 C 1.1580(4) 1.2488(3) 0.6863(3) 0.0350(12) Uani 1 1 d . . .
H50 H 1.2104 1.2260 0.7159 0.052 Uiso 1 1 calc R . .
H51 H 1.1778 1.3087 0.7100 0.052 Uiso 1 1 calc R . .
H52 H 1.1701 1.2455 0.6417 0.052 Uiso 1 1 calc R . .
C38 C 0.9939(5) 1.1007(3) 0.6325(3) 0.0377(13) Uani 1 1 d . . .
H53 H 1.0454 1.0771 0.6619 0.057 Uiso 1 1 calc R . .
H54 H 1.0090 1.0999 0.5888 0.057 Uiso 1 1 calc R . .
H55 H 0.9090 1.0661 0.6218 0.057 Uiso 1 1 calc R . .
C39 C 0.8328(4) 1.3157(3) 0.7910(3) 0.0245(10) Uani 1 1 d . . .
C40 C 0.8474(4) 1.3596(3) 0.7396(3) 0.0304(11) Uani 1 1 d . . .
H56 H 0.8196 1.3276 0.6921 0.036 Uiso 1 1 calc R . .
C41 C 0.9026(5) 1.4500(3) 0.7580(3) 0.0421(14) Uani 1 1 d . . .
H57 H 0.9101 1.4784 0.7229 0.051 Uiso 1 1 calc R . .
C42 C 0.9461(6) 1.4974(4) 0.8282(4) 0.0554(17) Uani 1 1 d . . .
H58 H 0.9857 1.5578 0.8413 0.067 Uiso 1 1 calc R . .
C43 C 0.9307(6) 1.4549(4) 0.8789(4) 0.0552(17) Uani 1 1 d . . .
H59 H 0.9584 1.4871 0.9263 0.066 Uiso 1 1 calc R . .
C44 C 0.8743(5) 1.3641(3) 0.8606(3) 0.0401(13) Uani 1 1 d . . .
H60 H 0.8646 1.3364 0.8958 0.048 Uiso 1 1 calc R . .
C45 C 0.5834(4) 1.2368(3) 0.7853(2) 0.0229(10) Uani 1 1 d . . .
C46 C 0.5508(4) 1.2295(3) 0.8447(3) 0.0302(11) Uani 1 1 d . . .
H61 H 0.5680 1.1892 0.8684 0.036 Uiso 1 1 calc R . .
C47 C 0.4939(5) 1.2801(3) 0.8690(3) 0.0339(12) Uani 1 1 d . . .
H62 H 0.4731 1.2738 0.9088 0.041 Uiso 1 1 calc R . .
C48 C 0.4673(4) 1.3405(3) 0.8348(3) 0.0311(11) Uani 1 1 d . . .
H63 H 0.4284 1.3746 0.8510 0.037 Uiso 1 1 calc R . .
C49 C 0.4994(4) 1.3493(3) 0.7762(3) 0.0315(11) Uani 1 1 d . . .
H64 H 0.4824 1.3901 0.7530 0.038 Uiso 1 1 calc R . .
C50 C 0.5568(4) 1.2979(3) 0.7516(3) 0.0270(10) Uani 1 1 d . . .
H65 H 0.5778 1.3046 0.7119 0.032 Uiso 1 1 calc R . .
Si4 Si 0.40803(11) 1.02637(8) 0.69572(7) 0.0208(3) Uani 1 1 d . . .
C51 C 0.3827(4) 0.9088(3) 0.6893(3) 0.0310(11) Uani 1 1 d . . .
H66 H 0.2959 0.8748 0.6715 0.047 Uiso 1 1 calc R . .
H67 H 0.4208 0.9029 0.7357 0.047 Uiso 1 1 calc R . .
H68 H 0.4182 0.8883 0.6572 0.047 Uiso 1 1 calc R . .
C52 C 0.3196(4) 1.0570(3) 0.7499(3) 0.0324(11) Uani 1 1 d . . .
H69 H 0.2340 1.0203 0.7266 0.049 Uiso 1 1 calc R . .
H70 H 0.3292 1.1170 0.7540 0.049 Uiso 1 1 calc R . .
H71 H 0.3504 1.0495 0.7966 0.049 Uiso 1 1 calc R . .
C53 C 0.3319(4) 1.0312(3) 0.6008(2) 0.0273(11) Uani 1 1 d . . .
C54 C 0.3884(5) 0.9984(4) 0.5491(3) 0.0391(13) Uani 1 1 d . . .
H72 H 0.3821 0.9398 0.5490 0.059 Uiso 1 1 calc R . .
H73 H 0.4735 1.0357 0.5643 0.059 Uiso 1 1 calc R . .
H74 H 0.3448 0.9993 0.5018 0.059 Uiso 1 1 calc R . .
C55 C 0.1937(5) 0.9732(4) 0.5727(3) 0.0501(16) Uani 1 1 d . . .
H75 H 0.1844 0.9142 0.5729 0.075 Uiso 1 1 calc R . .
H76 H 0.1549 0.9749 0.5249 0.075 Uiso 1 1 calc R . .
H77 H 0.1559 0.9945 0.6029 0.075 Uiso 1 1 calc R . .
C56 C 0.3428(5) 1.1245(4) 0.5996(3) 0.0415(13) Uani 1 1 d . . .
H78 H 0.4281 1.1619 0.6166 0.062 Uiso 1 1 calc R . .
H79 H 0.3045 1.1451 0.6299 0.062 Uiso 1 1 calc R . .
H80 H 0.3025 1.1251 0.5516 0.062 Uiso 1 1 calc R . .
Li1 Li 0.5539(7) 0.8226(5) 0.6810(4) 0.0287(18) Uani 1 1 d . . .
Li2 Li 0.7540(7) 1.1177(5) 0.8331(4) 0.0266(17) Uani 1 1 d . . .
O1 O 0.4477(3) 0.7762(2) 0.57943(16) 0.0295(7) Uani 1 1 d . . .
C57 C 0.3172(4) 0.7239(3) 0.5456(3) 0.0352(12) Uani 1 1 d . . .
H81 H 0.2693 0.7604 0.5465 0.042 Uiso 1 1 calc R . .
H82 H 0.2932 0.6801 0.5701 0.042 Uiso 1 1 calc R . .
C58 C 0.2971(5) 0.6811(3) 0.4700(3) 0.0381(13) Uani 1 1 d . . .
H83 H 0.2136 0.6676 0.4380 0.046 Uiso 1 1 calc R . .
H84 H 0.3145 0.6282 0.4665 0.046 Uiso 1 1 calc R . .
C59 C 0.3895(4) 0.7515(3) 0.4544(3) 0.0383(13) Uani 1 1 d . . .
H85 H 0.4121 0.7267 0.4165 0.046 Uiso 1 1 calc R . .
H86 H 0.3567 0.7948 0.4407 0.046 Uiso 1 1 calc R . .
C60 C 0.4980(4) 0.7911(3) 0.5239(3) 0.0332(12) Uani 1 1 d . . .
H87 H 0.5568 0.7633 0.5246 0.040 Uiso 1 1 calc R . .
H88 H 0.5388 0.8532 0.5308 0.040 Uiso 1 1 calc R . .
O2 O 0.8435(3) 1.1731(2) 0.93311(17) 0.0398(9) Uani 1 1 d . A .
C61 C 0.9674(5) 1.1773(5) 0.9663(3) 0.0574(17) Uani 1 1 d . A .
H89 H 1.0229 1.2149 0.9488 0.069 Uiso 1 1 calc R . .
H90 H 0.9703 1.1195 0.9558 0.069 Uiso 1 1 calc R . .
C62 C 1.0031(7) 1.2130(7) 1.0443(4) 0.087(3) Uani 1 1 d . . .
H91 H 0.9822 1.1667 1.0669 0.104 Uiso 0.71(3) 1 calc PR A 1
H92 H 1.0906 1.2479 1.0670 0.104 Uiso 0.71(3) 1 calc PR A 1
H93 H 1.0659 1.2714 1.0612 0.104 Uiso 0.29(3) 1 calc PR A 2
H94 H 1.0346 1.1760 1.0702 0.104 Uiso 0.29(3) 1 calc PR A 2
C63 C 0.9290(15) 1.2675(11) 1.0472(7) 0.064(4) Uani 0.71(3) 1 d P A 1
H95 H 0.9666 1.3234 1.0393 0.077 Uiso 0.71(3) 1 calc PR A 1
H96 H 0.9184 1.2773 1.0928 0.077 Uiso 0.71(3) 1 calc PR A 1
C64 C 0.8080(6) 1.2128(4) 0.9870(3) 0.0519(15) Uani 1 1 d . . .
H97 H 0.7564 1.1689 1.0022 0.062 Uiso 0.71(3) 1 calc PR A 1
H98 H 0.7639 1.2490 0.9695 0.062 Uiso 0.71(3) 1 calc PR A 1
H99 H 0.8157 1.2718 0.9850 0.062 Uiso 0.29(3) 1 calc PR A 2
H100 H 0.7229 1.1794 0.9791 0.062 Uiso 0.29(3) 1 calc PR A 2
C65 C 0.886(3) 1.215(4) 1.0543(12) 0.068(14) Uani 0.29(3) 1 d P A 2
H101 H 0.8482 1.1641 1.0690 0.082 Uiso 0.29(3) 1 calc PR A 2
H102 H 0.9033 1.2671 1.0902 0.082 Uiso 0.29(3) 1 calc PR A 2
C66 C -0.0089(6) 0.5352(4) 0.4834(4) 0.0648(19) Uani 1 1 d . . .
H103 H 0.0109 0.5291 0.4407 0.078 Uiso 1 1 calc R . .
H104 H 0.0483 0.5913 0.5165 0.078 Uiso 1 1 calc R . .
C67 C -0.1374(6) 0.5347(4) 0.4640(4) 0.0654(19) Uani 1 1 d . . .
H105 H -0.1574 0.5414 0.5067 0.078 Uiso 1 1 calc R . .
H106 H -0.1951 0.4787 0.4309 0.078 Uiso 1 1 calc R . .
C68 C -0.1518(7) 0.6069(5) 0.4302(4) 0.082(2) Uani 1 1 d . . .
H107 H -0.2348 0.6042 0.4187 0.124 Uiso 1 1 calc R . .
H108 H -0.1337 0.5998 0.3874 0.124 Uiso 1 1 calc R . .
H109 H -0.0960 0.6625 0.4632 0.124 Uiso 1 1 calc R . .
C69 C 0.7527(9) 0.5614(7) -0.0247(5) 0.124(4) Uani 1 1 d . . .
H110 H 0.8254 0.5479 -0.0125 0.186 Uiso 1 1 calc R . .
H111 H 0.7746 0.6228 -0.0050 0.186 Uiso 1 1 calc R . .
H112 H 0.7139 0.5462 -0.0757 0.186 Uiso 1 1 calc R . .
C70 C 0.6667(8) 0.5113(6) 0.0050(4) 0.093(3) Uani 1 1 d . . .
H113 H 0.7081 0.5257 0.0563 0.112 Uiso 1 1 calc R . .
H114 H 0.6469 0.4495 -0.0144 0.112 Uiso 1 1 calc R . .
C71 C 0.5467(9) 0.5271(5) -0.0101(4) 0.099(3) Uani 1 1 d . . .
H115 H 0.5668 0.5875 0.0143 0.119 Uiso 1 1 calc R . .
H116 H 0.5115 0.5202 -0.0609 0.119 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pb1 C1 2.318(4) . ?
Pb1 C4 2.322(4) . ?
Pb1 Li1 2.897(8) . ?
Pb1 Pb2 3.2056(3) . ?
Pb1 Li2 3.389(8) . ?
C1 C2 1.375(6) . ?
C1 Si1 1.870(4) . ?
C1 Li1 2.314(9) . ?
C2 C3 1.489(6) . ?
C2 C15 1.511(6) . ?
C2 Li1 2.281(9) . ?
C3 C4 1.378(6) . ?
C3 C21 1.507(6) . ?
C3 Li1 2.322(9) . ?
C4 Si2 1.858(5) . ?
C4 Li1 2.448(9) . ?
Pb2 C5 2.308(5) . ?
Pb2 C8 2.316(4) . ?
Pb2 Li2 2.854(8) . ?
Pb2 Li1 3.249(8) . ?
C5 C6 1.387(6) . ?
C5 Si3 1.865(4) . ?
C5 Li2 2.290(8) . ?
C6 C7 1.495(6) . ?
C6 C39 1.517(6) . ?
C6 Li2 2.288(8) . ?
C7 C8 1.372(6) . ?
C7 C45 1.500(6) . ?
C7 Li2 2.303(9) . ?
C8 Si4 1.874(4) . ?
C8 Li2 2.374(9) . ?
Si1 C9 1.868(5) . ?
Si1 C10 1.884(5) . ?
Si1 C11 1.913(5) . ?
C9 H1 0.9600 . ?
C9 H2 0.9600 . ?
C9 H3 0.9600 . ?
C10 H4 0.9600 . ?
C10 H5 0.9600 . ?
C10 H6 0.9600 . ?
C11 C13 1.530(6) . ?
C11 C14 1.538(7) . ?
C11 C12 1.551(7) . ?
C12 H7 0.9600 . ?
C12 H8 0.9600 . ?
C12 H9 0.9600 . ?
C13 H10 0.9600 . ?
C13 H11 0.9600 . ?
C13 H12 0.9600 . ?
C14 H13 0.9600 . ?
C14 H14 0.9600 . ?
C14 H15 0.9600 . ?
C15 C16 1.380(7) . ?
C15 C20 1.404(6) . ?
C16 C17 1.383(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.369(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.378(8) . ?
C18 H18 0.9300 . ?
C19 C20 1.386(7) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.384(6) . ?
C21 C26 1.392(6) . ?
C22 C23 1.388(6) . ?
C22 H21 0.9300 . ?
C23 C24 1.373(7) . ?
C23 H22 0.9300 . ?
C24 C25 1.386(7) . ?
C24 H23 0.9300 . ?
C25 C26 1.396(7) . ?
C25 H24 0.9300 . ?
C26 H25 0.9300 . ?
Si2 C27 1.870(5) . ?
Si2 C28 1.884(5) . ?
Si2 C29 1.926(5) . ?
C27 H26 0.9600 . ?
C27 H27 0.9600 . ?
C27 H28 0.9600 . ?
C28 H29 0.9600 . ?
C28 H30 0.9600 . ?
C28 H31 0.9600 . ?
C29 C30 1.521(7) . ?
C29 C32 1.536(8) . ?
C29 C31 1.541(7) . ?
C30 H32 0.9600 . ?
C30 H33 0.9600 . ?
C30 H34 0.9600 . ?
C31 H35 0.9600 . ?
C31 H36 0.9600 . ?
C31 H37 0.9600 . ?
C32 H38 0.9600 . ?
C32 H39 0.9600 . ?
C32 H40 0.9600 . ?
Si3 C33 1.866(5) . ?
Si3 C34 1.890(5) . ?
Si3 C35 1.921(5) . ?
C33 H41 0.9600 . ?
C33 H42 0.9600 . ?
C33 H43 0.9600 . ?
C34 H44 0.9600 . ?
C34 H45 0.9600 . ?
C34 H46 0.9600 . ?
C35 C36 1.529(7) . ?
C35 C38 1.533(7) . ?
C35 C37 1.536(6) . ?
C36 H47 0.9600 . ?
C36 H48 0.9600 . ?
C36 H49 0.9600 . ?
C37 H50 0.9600 . ?
C37 H51 0.9600 . ?
C37 H52 0.9600 . ?
C38 H53 0.9600 . ?
C38 H54 0.9600 . ?
C38 H55 0.9600 . ?
C39 C44 1.371(7) . ?
C39 C40 1.393(6) . ?
C40 C41 1.389(7) . ?
C40 H56 0.9300 . ?
C41 C42 1.373(8) . ?
C41 H57 0.9300 . ?
C42 C43 1.370(9) . ?
C42 H58 0.9300 . ?
C43 C44 1.394(7) . ?
C43 H59 0.9300 . ?
C44 H60 0.9300 . ?
C45 C50 1.387(6) . ?
C45 C46 1.394(6) . ?
C46 C47 1.373(7) . ?
C46 H61 0.9300 . ?
C47 C48 1.381(7) . ?
C47 H62 0.9300 . ?
C48 C49 1.378(7) . ?
C48 H63 0.9300 . ?
C49 C50 1.389(7) . ?
C49 H64 0.9300 . ?
C50 H65 0.9300 . ?
Si4 C51 1.871(5) . ?
Si4 C52 1.876(5) . ?
Si4 C53 1.910(5) . ?
C51 H66 0.9600 . ?
C51 H67 0.9600 . ?
C51 H68 0.9600 . ?
C52 H69 0.9600 . ?
C52 H70 0.9600 . ?
C52 H71 0.9600 . ?
C53 C56 1.530(7) . ?
C53 C54 1.540(7) . ?
C53 C55 1.543(7) . ?
C54 H72 0.9600 . ?
C54 H73 0.9600 . ?
C54 H74 0.9600 . ?
C55 H75 0.9600 . ?
C55 H76 0.9600 . ?
C55 H77 0.9600 . ?
C56 H78 0.9600 . ?
C56 H79 0.9600 . ?
C56 H80 0.9600 . ?
Li1 O1 1.963(8) . ?
Li2 O2 1.914(8) . ?
O1 C57 1.448(5) . ?
O1 C60 1.461(5) . ?
C57 C58 1.504(7) . ?
C57 H81 0.9700 . ?
C57 H82 0.9700 . ?
C58 C59 1.511(7) . ?
C58 H83 0.9700 . ?
C58 H84 0.9700 . ?
C59 C60 1.503(7) . ?
C59 H85 0.9700 . ?
C59 H86 0.9700 . ?
C60 H87 0.9700 . ?
C60 H88 0.9700 . ?
O2 C64 1.436(6) . ?
O2 C61 1.444(7) . ?
C61 C62 1.481(8) . ?
C61 H89 0.9700 . ?
C61 H90 0.9700 . ?
C62 C63 1.478(14) . ?
C62 C65 1.52(3) . ?
C62 H91 0.9700 . ?
C62 H92 0.9700 . ?
C62 H93 0.9700 . ?
C62 H94 0.9700 . ?
C63 C64 1.509(14) . ?
C63 H95 0.9700 . ?
C63 H96 0.9700 . ?
C64 C65 1.41(3) . ?
C64 H97 0.9700 . ?
C64 H98 0.9700 . ?
C64 H99 0.9700 . ?
C64 H100 0.9700 . ?
C65 H101 0.9700 . ?
C65 H102 0.9700 . ?
C66 C66 1.489(13) 2_566 ?
C66 C67 1.504(9) . ?
C66 H103 0.9700 . ?
C66 H104 0.9700 . ?
C67 C68 1.514(9) . ?
C67 H105 0.9700 . ?
C67 H106 0.9700 . ?
C68 H107 0.9600 . ?
C68 H108 0.9600 . ?
C68 H109 0.9600 . ?
C69 C70 1.475(12) . ?
C69 H110 0.9600 . ?
C69 H111 0.9600 . ?
C69 H112 0.9600 . ?
C70 C71 1.526(12) . ?
C70 H113 0.9700 . ?
C70 H114 0.9700 . ?
C71 C71 1.436(16) 2_665 ?
C71 H115 0.9700 . ?
C71 H116 0.9700 . ?

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
C1 Pb1 C4 77.06(15) . . ?
C1 Pb1 Li1 51.23(19) . . ?
C4 Pb1 Li1 54.62(19) . . ?
C1 Pb1 Pb2 96.70(10) . . ?
C4 Pb1 Pb2 104.64(10) . . ?
Li1 Pb1 Pb2 64.10(15) . . ?
C1 Pb1 Li2 146.59(17) . . ?
C4 Pb1 Li2 100.17(17) . . ?
Li1 Pb1 Li2 99.6(2) . . ?
Pb2 Pb1 Li2 51.20(13) . . ?
C2 C1 Si1 127.9(3) . . ?
C2 C1 Li1 71.3(3) . . ?
Si1 C1 Li1 125.9(3) . . ?
C2 C1 Pb1 110.0(3) . . ?
Si1 C1 Pb1 121.4(2) . . ?
Li1 C1 Pb1 77.4(2) . . ?
C1 C2 C3 121.2(4) . . ?
C1 C2 C15 122.0(4) . . ?
C3 C2 C15 116.8(4) . . ?
C1 C2 Li1 73.9(3) . . ?
C3 C2 Li1 72.6(3) . . ?
C15 C2 Li1 125.8(4) . . ?
C4 C3 C2 119.9(4) . . ?
C4 C3 C21 122.3(4) . . ?
C2 C3 C21 117.7(4) . . ?
C4 C3 Li1 78.3(3) . . ?
C2 C3 Li1 69.7(3) . . ?
C21 C3 Li1 120.9(3) . . ?
C3 C4 Si2 128.7(3) . . ?
C3 C4 Pb1 110.6(3) . . ?
Si2 C4 Pb1 117.9(2) . . ?
C3 C4 Li1 68.2(3) . . ?
Si2 C4 Li1 139.3(3) . . ?
Pb1 C4 Li1 74.7(2) . . ?
C5 Pb2 C8 77.33(15) . . ?
C5 Pb2 Li2 51.34(18) . . ?
C8 Pb2 Li2 53.45(19) . . ?
C5 Pb2 Pb1 99.36(11) . . ?
C8 Pb2 Pb1 105.98(10) . . ?
Li2 Pb2 Pb1 67.73(15) . . ?
C5 Pb2 Li1 151.29(17) . . ?
C8 Pb2 Li1 100.15(18) . . ?
Li2 Pb2 Li1 103.9(2) . . ?
Pb1 Pb2 Li1 53.33(13) . . ?
C6 C5 Si3 127.8(3) . . ?
C6 C5 Li2 72.3(3) . . ?
Si3 C5 Li2 126.8(3) . . ?
C6 C5 Pb2 109.2(3) . . ?
Si3 C5 Pb2 121.9(2) . . ?
Li2 C5 Pb2 76.8(2) . . ?
C5 C6 C7 121.2(4) . . ?
C5 C6 C39 122.3(4) . . ?
C7 C6 C39 116.5(4) . . ?
C5 C6 Li2 72.4(3) . . ?
C7 C6 Li2 71.6(3) . . ?
C39 C6 Li2 131.0(4) . . ?
C8 C7 C6 119.4(4) . . ?
C8 C7 C45 122.1(4) . . ?
C6 C7 C45 118.4(4) . . ?
C8 C7 Li2 75.8(3) . . ?
C6 C7 Li2 70.4(3) . . ?
C45 C7 Li2 122.6(3) . . ?
C7 C8 Si4 128.4(3) . . ?
C7 C8 Pb2 110.7(3) . . ?
Si4 C8 Pb2 117.6(2) . . ?
C7 C8 Li2 70.1(3) . . ?
Si4 C8 Li2 138.5(3) . . ?
Pb2 C8 Li2 75.0(2) . . ?
C9 Si1 C1 107.6(2) . . ?
C9 Si1 C10 106.5(2) . . ?
C1 Si1 C10 115.2(2) . . ?
C9 Si1 C11 107.0(2) . . ?
C1 Si1 C11 113.0(2) . . ?
C10 Si1 C11 107.0(2) . . ?
Si1 C9 H1 109.5 . . ?
Si1 C9 H2 109.5 . . ?
H1 C9 H2 109.5 . . ?
Si1 C9 H3 109.5 . . ?
H1 C9 H3 109.5 . . ?
H2 C9 H3 109.5 . . ?
Si1 C10 H4 109.5 . . ?
Si1 C10 H5 109.5 . . ?
H4 C10 H5 109.5 . . ?
Si1 C10 H6 109.5 . . ?
H4 C10 H6 109.5 . . ?
H5 C10 H6 109.5 . . ?
C13 C11 C14 108.7(4) . . ?
C13 C11 C12 106.8(4) . . ?
C14 C11 C12 109.1(4) . . ?
C13 C11 Si1 111.9(3) . . ?
C14 C11 Si1 111.6(3) . . ?
C12 C11 Si1 108.5(4) . . ?
C11 C12 H7 109.5 . . ?
C11 C12 H8 109.5 . . ?
H7 C12 H8 109.5 . . ?
C11 C12 H9 109.5 . . ?
H7 C12 H9 109.5 . . ?
H8 C12 H9 109.5 . . ?
C11 C13 H10 109.5 . . ?
C11 C13 H11 109.5 . . ?
H10 C13 H11 109.5 . . ?
C11 C13 H12 109.5 . . ?
H10 C13 H12 109.5 . . ?
H11 C13 H12 109.5 . . ?
C11 C14 H13 109.5 . . ?
C11 C14 H14 109.5 . . ?
H13 C14 H14 109.5 . . ?
C11 C14 H15 109.5 . . ?
H13 C14 H15 109.5 . . ?
H14 C14 H15 109.5 . . ?
C16 C15 C20 117.4(4) . . ?
C16 C15 C2 122.1(4) . . ?
C20 C15 C2 120.5(4) . . ?
C15 C16 C17 122.0(5) . . ?
C15 C16 H16 119.0 . . ?
C17 C16 H16 119.0 . . ?
C18 C17 C16 119.8(5) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C19 119.9(5) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C18 C19 C20 120.4(5) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C19 C20 C15 120.5(5) . . ?
C19 C20 H20 119.8 . . ?
C15 C20 H20 119.8 . . ?
C22 C21 C26 118.1(4) . . ?
C22 C21 C3 119.8(4) . . ?
C26 C21 C3 122.1(4) . . ?
C21 C22 C23 121.5(4) . . ?
C21 C22 H21 119.2 . . ?
C23 C22 H21 119.2 . . ?
C24 C23 C22 120.2(5) . . ?
C24 C23 H22 119.9 . . ?
C22 C23 H22 119.9 . . ?
C23 C24 C25 119.3(4) . . ?
C23 C24 H23 120.3 . . ?
C25 C24 H23 120.3 . . ?
C24 C25 C26 120.4(5) . . ?
C24 C25 H24 119.8 . . ?
C26 C25 H24 119.8 . . ?
C21 C26 C25 120.4(5) . . ?
C21 C26 H25 119.8 . . ?
C25 C26 H25 119.8 . . ?
C4 Si2 C27 108.5(2) . . ?
C4 Si2 C28 117.1(2) . . ?
C27 Si2 C28 106.7(3) . . ?
C4 Si2 C29 110.1(2) . . ?
C27 Si2 C29 106.1(2) . . ?
C28 Si2 C29 107.8(2) . . ?
Si2 C27 H26 109.5 . . ?
Si2 C27 H27 109.5 . . ?
H26 C27 H27 109.5 . . ?
Si2 C27 H28 109.5 . . ?
H26 C27 H28 109.5 . . ?
H27 C27 H28 109.5 . . ?
Si2 C28 H29 109.5 . . ?
Si2 C28 H30 109.5 . . ?
H29 C28 H30 109.5 . . ?
Si2 C28 H31 109.5 . . ?
H29 C28 H31 109.5 . . ?
H30 C28 H31 109.5 . . ?
C30 C29 C32 109.2(5) . . ?
C30 C29 C31 108.5(5) . . ?
C32 C29 C31 107.9(5) . . ?
C30 C29 Si2 110.4(4) . . ?
C32 C29 Si2 112.0(3) . . ?
C31 C29 Si2 108.8(4) . . ?
C29 C30 H32 109.5 . . ?
C29 C30 H33 109.5 . . ?
H32 C30 H33 109.5 . . ?
C29 C30 H34 109.5 . . ?
H32 C30 H34 109.5 . . ?
H33 C30 H34 109.5 . . ?
C29 C31 H35 109.5 . . ?
C29 C31 H36 109.5 . . ?
H35 C31 H36 109.5 . . ?
C29 C31 H37 109.5 . . ?
H35 C31 H37 109.5 . . ?
H36 C31 H37 109.5 . . ?
C29 C32 H38 109.5 . . ?
C29 C32 H39 109.5 . . ?
H38 C32 H39 109.5 . . ?
C29 C32 H40 109.5 . . ?
H38 C32 H40 109.5 . . ?
H39 C32 H40 109.5 . . ?
C5 Si3 C33 107.9(2) . . ?
C5 Si3 C34 115.1(2) . . ?
C33 Si3 C34 104.8(2) . . ?
C5 Si3 C35 112.4(2) . . ?
C33 Si3 C35 107.7(2) . . ?
C34 Si3 C35 108.4(2) . . ?
Si3 C33 H41 109.5 . . ?
Si3 C33 H42 109.5 . . ?
H41 C33 H42 109.5 . . ?
Si3 C33 H43 109.5 . . ?
H41 C33 H43 109.5 . . ?
H42 C33 H43 109.5 . . ?
Si3 C34 H44 109.5 . . ?
Si3 C34 H45 109.5 . . ?
H44 C34 H45 109.5 . . ?
Si3 C34 H46 109.5 . . ?
H44 C34 H46 109.5 . . ?
H45 C34 H46 109.5 . . ?
C36 C35 C38 108.8(4) . . ?
C36 C35 C37 109.1(4) . . ?
C38 C35 C37 107.9(4) . . ?
C36 C35 Si3 111.6(3) . . ?
C38 C35 Si3 110.5(3) . . ?
C37 C35 Si3 108.8(3) . . ?
C35 C36 H47 109.5 . . ?
C35 C36 H48 109.5 . . ?
H47 C36 H48 109.5 . . ?
C35 C36 H49 109.5 . . ?
H47 C36 H49 109.5 . . ?
H48 C36 H49 109.5 . . ?
C35 C37 H50 109.5 . . ?
C35 C37 H51 109.5 . . ?
H50 C37 H51 109.5 . . ?
C35 C37 H52 109.5 . . ?
H50 C37 H52 109.5 . . ?
H51 C37 H52 109.5 . . ?
C35 C38 H53 109.5 . . ?
C35 C38 H54 109.5 . . ?
H53 C38 H54 109.5 . . ?
C35 C38 H55 109.5 . . ?
H53 C38 H55 109.5 . . ?
H54 C38 H55 109.5 . . ?
C44 C39 C40 118.4(4) . . ?
C44 C39 C6 122.9(4) . . ?
C40 C39 C6 118.7(4) . . ?
C39 C40 C41 121.2(5) . . ?
C39 C40 H56 119.4 . . ?
C41 C40 H56 119.4 . . ?
C42 C41 C40 119.7(5) . . ?
C42 C41 H57 120.2 . . ?
C40 C41 H57 120.2 . . ?
C43 C42 C41 119.4(5) . . ?
C43 C42 H58 120.3 . . ?
C41 C42 H58 120.3 . . ?
C42 C43 C44 121.1(6) . . ?
C42 C43 H59 119.4 . . ?
C44 C43 H59 119.4 . . ?
C39 C44 C43 120.1(5) . . ?
C39 C44 H60 119.9 . . ?
C43 C44 H60 119.9 . . ?
C50 C45 C46 117.4(4) . . ?
C50 C45 C7 122.8(4) . . ?
C46 C45 C7 119.8(4) . . ?
C47 C46 C45 121.7(5) . . ?
C47 C46 H61 119.1 . . ?
C45 C46 H61 119.1 . . ?
C46 C47 C48 120.3(5) . . ?
C46 C47 H62 119.8 . . ?
C48 C47 H62 119.8 . . ?
C49 C48 C47 119.1(4) . . ?
C49 C48 H63 120.5 . . ?
C47 C48 H63 120.5 . . ?
C48 C49 C50 120.5(4) . . ?
C48 C49 H64 119.7 . . ?
C50 C49 H64 119.7 . . ?
C45 C50 C49 121.0(4) . . ?
C45 C50 H65 119.5 . . ?
C49 C50 H65 119.5 . . ?
C51 Si4 C8 107.6(2) . . ?
C51 Si4 C52 106.6(2) . . ?
C8 Si4 C52 117.5(2) . . ?
C51 Si4 C53 106.2(2) . . ?
C8 Si4 C53 110.93(19) . . ?
C52 Si4 C53 107.4(2) . . ?
Si4 C51 H66 109.5 . . ?
Si4 C51 H67 109.5 . . ?
H66 C51 H67 109.5 . . ?
Si4 C51 H68 109.5 . . ?
H66 C51 H68 109.5 . . ?
H67 C51 H68 109.5 . . ?
Si4 C52 H69 109.5 . . ?
Si4 C52 H70 109.5 . . ?
H69 C52 H70 109.5 . . ?
Si4 C52 H71 109.5 . . ?
H69 C52 H71 109.5 . . ?
H70 C52 H71 109.5 . . ?
C56 C53 C54 108.3(4) . . ?
C56 C53 C55 107.9(4) . . ?
C54 C53 C55 108.2(4) . . ?
C56 C53 Si4 111.0(3) . . ?
C54 C53 Si4 112.4(3) . . ?
C55 C53 Si4 108.9(3) . . ?
C53 C54 H72 109.5 . . ?
C53 C54 H73 109.5 . . ?
H72 C54 H73 109.5 . . ?
C53 C54 H74 109.5 . . ?
H72 C54 H74 109.5 . . ?
H73 C54 H74 109.5 . . ?
C53 C55 H75 109.5 . . ?
C53 C55 H76 109.5 . . ?
H75 C55 H76 109.5 . . ?
C53 C55 H77 109.5 . . ?
H75 C55 H77 109.5 . . ?
H76 C55 H77 109.5 . . ?
C53 C56 H78 109.5 . . ?
C53 C56 H79 109.5 . . ?
H78 C56 H79 109.5 . . ?
C53 C56 H80 109.5 . . ?
H78 C56 H80 109.5 . . ?
H79 C56 H80 109.5 . . ?
O1 Li1 C2 112.7(4) . . ?
O1 Li1 C1 117.8(4) . . ?
C2 Li1 C1 34.80(18) . . ?
O1 Li1 C3 127.5(4) . . ?
C2 Li1 C3 37.74(19) . . ?
C1 Li1 C3 65.1(2) . . ?
O1 Li1 C4 153.8(4) . . ?
C2 Li1 C4 63.2(2) . . ?
C1 Li1 C4 74.7(3) . . ?
C3 Li1 C4 33.46(18) . . ?
O1 Li1 Pb1 155.3(4) . . ?
C2 Li1 Pb1 71.7(2) . . ?
C1 Li1 Pb1 51.35(19) . . ?
C3 Li1 Pb1 71.6(2) . . ?
C4 Li1 Pb1 50.64(18) . . ?
O1 Li1 Pb2 101.0(3) . . ?
C2 Li1 Pb2 128.8(3) . . ?
C1 Li1 Pb2 95.6(3) . . ?
C3 Li1 Pb2 131.6(3) . . ?
C4 Li1 Pb2 100.4(3) . . ?
Pb1 Li1 Pb2 62.57(15) . . ?
O2 Li2 C6 111.4(4) . . ?
O2 Li2 C5 119.4(4) . . ?
C6 Li2 C5 35.27(19) . . ?
O2 Li2 C7 122.9(4) . . ?
C6 Li2 C7 38.00(19) . . ?
C5 Li2 C7 66.3(3) . . ?
O2 Li2 C8 148.1(4) . . ?
C6 Li2 C8 64.1(2) . . ?
C5 Li2 C8 76.5(3) . . ?
C7 Li2 C8 34.07(18) . . ?
O2 Li2 Pb2 160.2(4) . . ?
C6 Li2 Pb2 72.0(2) . . ?
C5 Li2 Pb2 51.91(19) . . ?
C7 Li2 Pb2 72.5(2) . . ?
C8 Li2 Pb2 51.59(18) . . ?
O2 Li2 Pb1 106.1(3) . . ?
C6 Li2 Pb1 128.0(3) . . ?
C5 Li2 Pb1 94.7(3) . . ?
C7 Li2 Pb1 130.8(3) . . ?
C8 Li2 Pb1 99.3(3) . . ?
Pb2 Li2 Pb1 61.07(14) . . ?
C57 O1 C60 108.7(3) . . ?
C57 O1 Li1 130.3(4) . . ?
C60 O1 Li1 120.9(4) . . ?
O1 C57 C58 105.7(4) . . ?
O1 C57 H81 110.6 . . ?
C58 C57 H81 110.6 . . ?
O1 C57 H82 110.6 . . ?
C58 C57 H82 110.6 . . ?
H81 C57 H82 108.7 . . ?
C57 C58 C59 101.5(4) . . ?
C57 C58 H83 111.5 . . ?
C59 C58 H83 111.5 . . ?
C57 C58 H84 111.5 . . ?
C59 C58 H84 111.5 . . ?
H83 C58 H84 109.3 . . ?
C60 C59 C58 103.9(4) . . ?
C60 C59 H85 111.0 . . ?
C58 C59 H85 111.0 . . ?
C60 C59 H86 111.0 . . ?
C58 C59 H86 111.0 . . ?
H85 C59 H86 109.0 . . ?
O1 C60 C59 105.7(4) . . ?
O1 C60 H87 110.6 . . ?
C59 C60 H87 110.6 . . ?
O1 C60 H88 110.6 . . ?
C59 C60 H88 110.6 . . ?
H87 C60 H88 108.7 . . ?
C64 O2 C61 108.7(4) . . ?
C64 O2 Li2 130.9(4) . . ?
C61 O2 Li2 120.4(4) . . ?
O2 C61 C62 106.6(5) . . ?
O2 C61 H89 110.4 . . ?
C62 C61 H89 110.4 . . ?
O2 C61 H90 110.4 . . ?
C62 C61 H90 110.4 . . ?
H89 C61 H90 108.6 . . ?
C63 C62 C61 102.3(7) . . ?
C63 C62 C65 36.5(19) . . ?
C61 C62 C65 105.2(11) . . ?
C63 C62 H91 111.3 . . ?
C61 C62 H91 111.3 . . ?
C65 C62 H91 76.7 . . ?
C63 C62 H92 111.3 . . ?
C61 C62 H92 111.3 . . ?
C65 C62 H92 136.8 . . ?
H91 C62 H92 109.2 . . ?
C63 C62 H93 78.4 . . ?
C61 C62 H93 110.7 . . ?
C65 C62 H93 110.7 . . ?
H91 C62 H93 133.2 . . ?
H92 C62 H93 34.3 . . ?
C63 C62 H94 140.1 . . ?
C61 C62 H94 110.7 . . ?
C65 C62 H94 110.7 . . ?
H91 C62 H94 35.6 . . ?
H92 C62 H94 77.2 . . ?
H93 C62 H94 108.8 . . ?
C62 C63 C64 102.6(8) . . ?
C62 C63 H95 111.2 . . ?
C64 C63 H95 111.2 . . ?
C62 C63 H96 111.2 . . ?
C64 C63 H96 111.2 . . ?
H95 C63 H96 109.2 . . ?
C65 C64 O2 108.2(13) . . ?
C65 C64 C63 37(2) . . ?
O2 C64 C63 103.7(7) . . ?
C65 C64 H97 75.2 . . ?
O2 C64 H97 111.0 . . ?
C63 C64 H97 111.0 . . ?
C65 C64 H98 135.2 . . ?
O2 C64 H98 111.0 . . ?
C63 C64 H98 111.0 . . ?
H97 C64 H98 109.0 . . ?
C65 C64 H99 110.1 . . ?
O2 C64 H99 110.1 . . ?
C63 C64 H99 77.7 . . ?
H97 C64 H99 134.1 . . ?
H98 C64 H99 35.2 . . ?
C65 C64 H100 110.1 . . ?
O2 C64 H100 110.1 . . ?
C63 C64 H100 140.4 . . ?
H97 C64 H100 37.0 . . ?
H98 C64 H100 75.6 . . ?
H99 C64 H100 108.4 . . ?
C64 C65 C62 105.5(19) . . ?
C64 C65 H101 110.6 . . ?
C62 C65 H101 110.6 . . ?
C64 C65 H102 110.6 . . ?
C62 C65 H102 110.6 . . ?
H101 C65 H102 108.8 . . ?
C66 C66 C67 113.9(6) 2_566 . ?
C66 C66 H103 108.8 2_566 . ?
C67 C66 H103 108.8 . . ?
C66 C66 H104 108.8 2_566 . ?
C67 C66 H104 108.8 . . ?
H103 C66 H104 107.7 . . ?
C66 C67 C68 112.2(5) . . ?
C66 C67 H105 109.2 . . ?
C68 C67 H105 109.2 . . ?
C66 C67 H106 109.2 . . ?
C68 C67 H106 109.2 . . ?
H105 C67 H106 107.9 . . ?
C67 C68 H107 109.5 . . ?
C67 C68 H108 109.5 . . ?
H107 C68 H108 109.5 . . ?
C67 C68 H109 109.5 . . ?
H107 C68 H109 109.5 . . ?
H108 C68 H109 109.5 . . ?
C70 C69 H110 109.5 . . ?
C70 C69 H111 109.5 . . ?
H110 C69 H111 109.5 . . ?
C70 C69 H112 109.5 . . ?
H110 C69 H112 109.5 . . ?
H111 C69 H112 109.5 . . ?
C69 C70 C71 115.0(9) . . ?
C69 C70 H113 108.5 . . ?
C71 C70 H113 108.5 . . ?
C69 C70 H114 108.5 . . ?
C71 C70 H114 108.5 . . ?
H113 C70 H114 107.5 . . ?
C71 C71 C70 117.6(11) 2_665 . ?
C71 C71 H115 107.9 2_665 . ?
C70 C71 H115 107.9 . . ?
C71 C71 H116 107.9 2_665 . ?
C70 C71 H116 107.9 . . ?
H115 C71 H116 107.2 . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         2.252
_refine_diff_density_min         -0.741
_refine_diff_density_rms         0.105
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mm778
_database_code_depnum_ccdc_archive 'CCDC 1030691'
_audit_update_record             
;
2014-10-23 deposited with the CCDC.
2015-02-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H56 Li2 O2 Pb Si2'
_chemical_formula_weight         798.06

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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_space_group_name_Hall           '-P 1'


loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.4117(13)
_cell_length_b                   12.4449(15)
_cell_length_c                   13.7628(16)
_cell_angle_alpha                82.874(2)
_cell_angle_beta                 67.352(2)
_cell_angle_gamma                75.447(3)
_cell_volume                     1898.1(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5438
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      28.42


_exptl_crystal_description       cube
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             808
_exptl_absorpt_coefficient_mu    4.535
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.654
_exptl_absorpt_correction_T_max  0.696
_exptl_absorpt_process_details   'SADABS; Sheldrick 1996'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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 scans'
_diffrn_reflns_number            13405
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0543
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.60
_diffrn_reflns_theta_max         27.50
_reflns_number_total             8708
_reflns_number_gt                7098
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0378P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8708
_refine_ls_number_parameters     466
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0354
_refine_ls_wR_factor_ref         0.0829
_refine_ls_wR_factor_gt          0.0780
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_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
Pb1 Pb 0.067659(12) 0.263756(15) 0.400194(11) 0.03579(7) Uani 1 1 d . A .
C1 C 0.0950(3) 0.2578(3) 0.2268(3) 0.0216(7) Uani 1 1 d . . .
C2 C 0.2142(3) 0.2582(3) 0.1564(3) 0.0207(7) Uani 1 1 d . . .
C3 C 0.3034(3) 0.2607(3) 0.1997(3) 0.0245(8) Uani 1 1 d . A .
C4 C 0.2673(3) 0.2630(4) 0.3110(3) 0.0366(10) Uani 1 1 d . . .
Si1 Si -0.03731(9) 0.25709(9) 0.19630(8) 0.0248(2) Uani 1 1 d . . .
C5 C -0.0363(3) 0.3268(4) 0.0670(3) 0.0322(9) Uani 1 1 d . . .
H5A H -0.0207 0.4001 0.0625 0.048 Uiso 1 1 calc R . .
H5B H -0.1135 0.3334 0.0619 0.048 Uiso 1 1 calc R . .
H5C H 0.0258 0.2828 0.0098 0.048 Uiso 1 1 calc R . .
C6 C -0.1748(3) 0.3372(4) 0.2983(3) 0.0371(10) Uani 1 1 d . . .
H6A H -0.1799 0.3064 0.3678 0.056 Uiso 1 1 calc R . .
H6B H -0.2453 0.3321 0.2861 0.056 Uiso 1 1 calc R . .
H6C H -0.1703 0.4144 0.2937 0.056 Uiso 1 1 calc R . .
C7 C -0.0606(4) 0.1102(4) 0.1991(3) 0.0344(9) Uani 1 1 d . . .
C8 C 0.0539(4) 0.0315(4) 0.1334(4) 0.0421(11) Uani 1 1 d . . .
H8A H 0.1137 0.0221 0.1648 0.063 Uiso 1 1 calc R . .
H8B H 0.0839 0.0624 0.0623 0.063 Uiso 1 1 calc R . .
H8C H 0.0370 -0.0400 0.1314 0.063 Uiso 1 1 calc R . .
C9 C -0.1031(4) 0.0635(4) 0.3127(4) 0.0436(11) Uani 1 1 d . . .
H9A H -0.1106 -0.0122 0.3127 0.065 Uiso 1 1 calc R . .
H9B H -0.1803 0.1087 0.3533 0.065 Uiso 1 1 calc R . .
H9C H -0.0454 0.0645 0.3440 0.065 Uiso 1 1 calc R . .
C10 C -0.1568(5) 0.1138(5) 0.1521(5) 0.0618(15) Uani 1 1 d . . .
H10A H -0.1269 0.1351 0.0779 0.093 Uiso 1 1 calc R . .
H10B H -0.2291 0.1675 0.1889 0.093 Uiso 1 1 calc R . .
H10C H -0.1747 0.0409 0.1601 0.093 Uiso 1 1 calc R . .
C11 C 0.2486(3) 0.2658(3) 0.0386(3) 0.0246(8) Uani 1 1 d . . .
C12 C 0.2781(4) 0.1729(4) -0.0203(3) 0.0371(10) Uani 1 1 d . . .
H12A H 0.2834 0.1019 0.0125 0.044 Uiso 1 1 calc R . .
C13 C 0.3001(4) 0.1836(5) -0.1283(4) 0.0527(14) Uani 1 1 d . . .
H13A H 0.3177 0.1202 -0.1671 0.063 Uiso 1 1 calc R . .
C14 C 0.2960(4) 0.2862(6) -0.1773(4) 0.0565(15) Uani 1 1 d . . .
H14A H 0.3098 0.2935 -0.2497 0.068 Uiso 1 1 calc R . .
C15 C 0.2720(4) 0.3778(5) -0.1213(3) 0.0514(14) Uani 1 1 d . . .
H15A H 0.2724 0.4479 -0.1557 0.062 Uiso 1 1 calc R . .
C16 C 0.2471(4) 0.3681(4) -0.0141(3) 0.0381(10) Uani 1 1 d . . .
H16A H 0.2288 0.4323 0.0238 0.046 Uiso 1 1 calc R . .
C17 C 0.4293(3) 0.2619(3) 0.1255(3) 0.0278(8) Uani 1 1 d . . .
C18 C 0.4682(5) 0.3594(5) 0.1006(4) 0.0590(15) Uani 1 1 d . A .
H18A H 0.4138 0.4263 0.1269 0.071 Uiso 1 1 calc R . .
C19 C 0.5868(5) 0.3616(5) 0.0371(4) 0.0684(18) Uani 1 1 d . . .
H19A H 0.6120 0.4289 0.0235 0.082 Uiso 1 1 calc R A .
C20 C 0.6655(4) 0.2667(5) -0.0049(3) 0.0496(13) Uani 1 1 d . A .
H20A H 0.7446 0.2681 -0.0496 0.059 Uiso 1 1 calc R . .
C21 C 0.6285(4) 0.1694(5) 0.0185(5) 0.0586(15) Uani 1 1 d . . .
H21A H 0.6824 0.1029 -0.0095 0.070 Uiso 1 1 calc R A .
C22 C 0.5107(4) 0.1682(4) 0.0841(4) 0.0493(13) Uani 1 1 d . A .
H22A H 0.4870 0.1001 0.1001 0.059 Uiso 1 1 calc R . .
Si2 Si 0.37082(17) 0.2275(2) 0.38783(15) 0.0166(4) Uani 0.50 1 d P A 1
C23 C 0.308(2) 0.139(2) 0.5047(13) 0.041(4) Uani 0.50 1 d P A 1
H23A H 0.3178 0.0648 0.4824 0.061 Uiso 0.50 1 calc PR A 1
H23B H 0.2232 0.1706 0.5403 0.061 Uiso 0.50 1 calc PR A 1
H23C H 0.3493 0.1346 0.5525 0.061 Uiso 0.50 1 calc PR A 1
C24 C 0.5309(7) 0.1567(9) 0.3165(7) 0.035(2) Uani 0.50 1 d P A 1
H24A H 0.5337 0.0916 0.2828 0.053 Uiso 0.50 1 calc PR A 1
H24B H 0.5711 0.1346 0.3663 0.053 Uiso 0.50 1 calc PR A 1
H24C H 0.5708 0.2075 0.2635 0.053 Uiso 0.50 1 calc PR A 1
C25 C 0.3717(7) 0.3657(7) 0.4416(6) 0.0296(17) Uani 0.50 1 d P A 1
C26 C 0.250(2) 0.415(2) 0.5207(19) 0.053(5) Uani 0.50 1 d P A 1
H26A H 0.2536 0.4809 0.5494 0.080 Uiso 0.50 1 calc PR A 1
H26B H 0.2254 0.3611 0.5772 0.080 Uiso 0.50 1 calc PR A 1
H26C H 0.1922 0.4353 0.4862 0.080 Uiso 0.50 1 calc PR A 1
C27 C 0.4104(10) 0.4524(8) 0.3577(8) 0.041(2) Uani 0.50 1 d P A 1
H27A H 0.4215 0.5129 0.3884 0.062 Uiso 0.50 1 calc PR A 1
H27B H 0.3496 0.4804 0.3274 0.062 Uiso 0.50 1 calc PR A 1
H27C H 0.4853 0.4198 0.3031 0.062 Uiso 0.50 1 calc PR A 1
C28 C 0.4616(8) 0.3370(8) 0.4999(7) 0.043(2) Uani 0.50 1 d P A 1
H28A H 0.5419 0.3101 0.4498 0.065 Uiso 0.50 1 calc PR A 1
H28B H 0.4397 0.2800 0.5540 0.065 Uiso 0.50 1 calc PR A 1
H28C H 0.4591 0.4030 0.5321 0.065 Uiso 0.50 1 calc PR A 1
Si3 Si 0.3443(2) 0.3028(3) 0.38979(19) 0.0372(6) Uani 0.50 1 d P A 2
C29 C 0.4657(10) 0.3865(12) 0.3196(10) 0.064(4) Uani 0.50 1 d P A 2
H29A H 0.5290 0.3445 0.2617 0.095 Uiso 0.50 1 calc PR A 2
H29B H 0.4986 0.4005 0.3691 0.095 Uiso 0.50 1 calc PR A 2
H29C H 0.4307 0.4566 0.2927 0.095 Uiso 0.50 1 calc PR A 2
C30 C 0.236(2) 0.3952(19) 0.5044(18) 0.051(5) Uani 0.50 1 d P A 2
H30A H 0.2098 0.4686 0.4773 0.077 Uiso 0.50 1 calc PR A 2
H30B H 0.2770 0.4010 0.5507 0.077 Uiso 0.50 1 calc PR A 2
H30C H 0.1679 0.3630 0.5434 0.077 Uiso 0.50 1 calc PR A 2
C31 C 0.4081(8) 0.1707(8) 0.4480(8) 0.046(2) Uani 0.50 1 d P A 2
C32 C 0.4790(11) 0.0860(10) 0.3631(11) 0.073(4) Uani 0.50 1 d P A 2
H32A H 0.5404 0.1167 0.3072 0.110 Uiso 0.50 1 calc PR A 2
H32B H 0.4256 0.0676 0.3347 0.110 Uiso 0.50 1 calc PR A 2
H32C H 0.5162 0.0193 0.3931 0.110 Uiso 0.50 1 calc PR A 2
C33 C 0.309(2) 0.128(2) 0.5348(16) 0.056(5) Uani 0.50 1 d P A 2
H33A H 0.2458 0.1274 0.5098 0.084 Uiso 0.50 1 calc PR A 2
H33B H 0.2767 0.1755 0.5948 0.084 Uiso 0.50 1 calc PR A 2
H33C H 0.3399 0.0528 0.5559 0.084 Uiso 0.50 1 calc PR A 2
C34 C 0.4970(8) 0.1910(9) 0.4959(8) 0.050(3) Uani 0.50 1 d P A 2
H34A H 0.5167 0.1265 0.5383 0.076 Uiso 0.50 1 calc PR A 2
H34B H 0.4599 0.2556 0.5395 0.076 Uiso 0.50 1 calc PR A 2
H34C H 0.5696 0.2034 0.4393 0.076 Uiso 0.50 1 calc PR A 2
Li1 Li 0.2323(6) 0.1125(6) 0.2595(6) 0.0354(16) Uani 1 1 d . A .
O1 O 0.2762(2) -0.0428(2) 0.2820(2) 0.0350(7) Uani 1 1 d . . .
C35 C 0.2073(4) -0.0924(4) 0.3801(3) 0.0365(10) Uani 1 1 d . A .
H35A H 0.1298 -0.0965 0.3792 0.044 Uiso 1 1 calc R . .
H35B H 0.1929 -0.0481 0.4397 0.044 Uiso 1 1 calc R . .
C36 C 0.2802(4) -0.2073(4) 0.3894(4) 0.0488(12) Uani 1 1 d . . .
H36A H 0.2300 -0.2620 0.4114 0.059 Uiso 1 1 calc R A .
H36B H 0.3182 -0.2097 0.4405 0.059 Uiso 1 1 calc R . .
C37 C 0.3737(4) -0.2298(4) 0.2794(4) 0.0490(12) Uani 1 1 d . A .
H37A H 0.4485 -0.2780 0.2817 0.059 Uiso 1 1 calc R . .
H37B H 0.3447 -0.2640 0.2366 0.059 Uiso 1 1 calc R . .
C38 C 0.3902(5) -0.1162(4) 0.2379(4) 0.0552(14) Uani 1 1 d . A .
H38A H 0.4494 -0.0959 0.2588 0.066 Uiso 1 1 calc R . .
H38B H 0.4179 -0.1129 0.1608 0.066 Uiso 1 1 calc R . .
Li2 Li 0.1603(7) 0.4061(6) 0.2414(6) 0.0418(18) Uani 1 1 d . A .
O2 O 0.1182(3) 0.5604(2) 0.2176(2) 0.0387(7) Uani 1 1 d . . .
C39 C 0.0055(4) 0.6057(4) 0.2056(4) 0.0398(10) Uani 1 1 d . A .
H39A H -0.0592 0.5787 0.2628 0.048 Uiso 1 1 calc R . .
H39B H 0.0080 0.5851 0.1382 0.048 Uiso 1 1 calc R . .
C40 C -0.0130(4) 0.7297(4) 0.2094(4) 0.0398(10) Uani 1 1 d . . .
H40A H -0.0983 0.7645 0.2418 0.048 Uiso 1 1 calc R A .
H40B H 0.0194 0.7624 0.1386 0.048 Uiso 1 1 calc R . .
C41 C 0.0549(4) 0.7444(3) 0.2765(3) 0.0322(9) Uani 1 1 d . A .
H41A H 0.1100 0.7934 0.2403 0.039 Uiso 1 1 calc R . .
H41B H -0.0006 0.7759 0.3443 0.039 Uiso 1 1 calc R . .
C42 C 0.1226(5) 0.6294(4) 0.2919(5) 0.0546(14) Uani 1 1 d . A .
H42A H 0.2058 0.6298 0.2792 0.065 Uiso 1 1 calc R . .
H42B H 0.0856 0.6015 0.3640 0.065 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pb1 C1 2.285(3) . ?
Pb1 C4 2.302(4) . ?
Pb1 Li2 2.714(8) . ?
Pb1 Li1 2.719(8) . ?
C1 C2 1.424(5) . ?
C1 Si1 1.847(3) . ?
C1 Li2 2.253(8) . ?
C1 Li1 2.283(7) . ?
C2 C3 1.452(5) . ?
C2 C11 1.506(5) . ?
C2 Li2 2.125(8) . ?
C2 Li1 2.180(7) . ?
C3 C4 1.423(5) . ?
C3 C17 1.505(5) . ?
C3 Li2 2.148(8) . ?
C3 Li1 2.176(8) . ?
C4 Si3 1.872(4) . ?
C4 Si2 1.900(4) . ?
C4 Li1 2.274(9) . ?
C4 Li2 2.285(9) . ?
Si1 C5 1.877(4) . ?
Si1 C6 1.877(4) . ?
Si1 C7 1.914(4) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C7 C8 1.525(6) . ?
C7 C9 1.535(6) . ?
C7 C10 1.552(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 H10C 0.9700 . ?
C11 C16 1.384(6) . ?
C11 C12 1.387(6) . ?
C12 C13 1.399(6) . ?
C12 H12A 0.9400 . ?
C13 C14 1.367(8) . ?
C13 H13A 0.9400 . ?
C14 C15 1.361(8) . ?
C14 H14A 0.9400 . ?
C15 C16 1.382(6) . ?
C15 H15A 0.9400 . ?
C16 H16A 0.9400 . ?
C17 C22 1.355(6) . ?
C17 C18 1.374(6) . ?
C18 C19 1.398(7) . ?
C18 H18A 0.9400 . ?
C19 C20 1.356(8) . ?
C19 H19A 0.9400 . ?
C20 C21 1.359(7) . ?
C20 H20A 0.9400 . ?
C21 C22 1.394(6) . ?
C21 H21A 0.9400 . ?
C22 H22A 0.9400 . ?
Si2 C23 1.86(2) . ?
Si2 C24 1.876(8) . ?
Si2 C25 1.960(8) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 H24C 0.9700 . ?
C25 C27 1.500(13) . ?
C25 C26 1.51(3) . ?
C25 C28 1.560(10) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 H26C 0.9700 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 H27C 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 H28C 0.9700 . ?
Si3 C31 1.865(10) . ?
Si3 C30 1.91(2) . ?
Si3 C29 1.924(10) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 H29C 0.9700 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 H30C 0.9700 . ?
C31 C33 1.51(3) . ?
C31 C32 1.517(14) . ?
C31 C34 1.567(12) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 H32C 0.9700 . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 H33C 0.9700 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 H34C 0.9700 . ?
Li1 O1 1.892(7) . ?
Li1 Li2 3.537(10) . ?
O1 C38 1.425(6) . ?
O1 C35 1.451(5) . ?
C35 C36 1.508(6) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C36 C37 1.519(7) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C37 C38 1.490(7) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
Li2 O2 1.881(8) . ?
O2 C39 1.435(5) . ?
O2 C42 1.438(5) . ?
C39 C40 1.506(6) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C40 C41 1.521(5) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C41 C42 1.502(6) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 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
C1 Pb1 C4 75.69(13) . . ?
C1 Pb1 Li2 52.74(18) . . ?
C4 Pb1 Li2 53.4(2) . . ?
C1 Pb1 Li1 53.45(16) . . ?
C4 Pb1 Li1 53.09(18) . . ?
Li2 Pb1 Li1 81.3(2) . . ?
C2 C1 Si1 129.0(3) . . ?
C2 C1 Li2 66.2(3) . . ?
Si1 C1 Li2 127.8(3) . . ?
C2 C1 Li1 67.5(3) . . ?
Si1 C1 Li1 129.8(3) . . ?
Li2 C1 Li1 102.5(3) . . ?
C2 C1 Pb1 113.7(2) . . ?
Si1 C1 Pb1 117.31(17) . . ?
Li2 C1 Pb1 73.4(2) . . ?
Li1 C1 Pb1 73.0(2) . . ?
C1 C2 C3 118.8(3) . . ?
C1 C2 C11 122.2(3) . . ?
C3 C2 C11 118.8(3) . . ?
C1 C2 Li2 76.0(3) . . ?
C3 C2 Li2 71.0(3) . . ?
C11 C2 Li2 119.4(3) . . ?
C1 C2 Li1 75.4(3) . . ?
C3 C2 Li1 70.4(3) . . ?
C11 C2 Li1 129.6(3) . . ?
Li2 C2 Li1 110.5(3) . . ?
C4 C3 C2 118.3(3) . . ?
C4 C3 C17 122.7(3) . . ?
C2 C3 C17 119.0(3) . . ?
C4 C3 Li2 76.6(3) . . ?
C2 C3 Li2 69.3(3) . . ?
C17 C3 Li2 124.1(3) . . ?
C4 C3 Li1 75.2(3) . . ?
C2 C3 Li1 70.7(3) . . ?
C17 C3 Li1 125.4(3) . . ?
Li2 C3 Li1 109.8(3) . . ?
C3 C4 Si3 129.0(3) . . ?
C3 C4 Si2 126.0(3) . . ?
Si3 C4 Si2 28.00(11) . . ?
C3 C4 Li1 67.6(3) . . ?
Si3 C4 Li1 142.0(3) . . ?
Si2 C4 Li1 114.2(3) . . ?
C3 C4 Li2 66.2(3) . . ?
Si3 C4 Li2 116.2(3) . . ?
Si2 C4 Li2 144.0(3) . . ?
Li1 C4 Li2 101.8(3) . . ?
C3 C4 Pb1 113.4(2) . . ?
Si3 C4 Pb1 115.3(2) . . ?
Si2 C4 Pb1 118.38(19) . . ?
Li1 C4 Pb1 72.9(2) . . ?
Li2 C4 Pb1 72.5(2) . . ?
C1 Si1 C5 114.57(17) . . ?
C1 Si1 C6 109.04(17) . . ?
C5 Si1 C6 105.09(19) . . ?
C1 Si1 C7 112.36(17) . . ?
C5 Si1 C7 108.15(19) . . ?
C6 Si1 C7 107.1(2) . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C9 108.9(4) . . ?
C8 C7 C10 107.5(4) . . ?
C9 C7 C10 108.9(4) . . ?
C8 C7 Si1 111.8(3) . . ?
C9 C7 Si1 110.3(3) . . ?
C10 C7 Si1 109.4(3) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16 C11 C12 117.6(4) . . ?
C16 C11 C2 120.3(3) . . ?
C12 C11 C2 122.0(4) . . ?
C11 C12 C13 120.7(5) . . ?
C11 C12 H12A 119.7 . . ?
C13 C12 H12A 119.7 . . ?
C14 C13 C12 120.0(5) . . ?
C14 C13 H13A 120.0 . . ?
C12 C13 H13A 120.0 . . ?
C15 C14 C13 119.9(4) . . ?
C15 C14 H14A 120.0 . . ?
C13 C14 H14A 120.0 . . ?
C14 C15 C16 120.3(5) . . ?
C14 C15 H15A 119.9 . . ?
C16 C15 H15A 119.9 . . ?
C15 C16 C11 121.4(4) . . ?
C15 C16 H16A 119.3 . . ?
C11 C16 H16A 119.3 . . ?
C22 C17 C18 116.8(4) . . ?
C22 C17 C3 122.5(4) . . ?
C18 C17 C3 120.6(4) . . ?
C17 C18 C19 121.6(5) . . ?
C17 C18 H18A 119.2 . . ?
C19 C18 H18A 119.2 . . ?
C20 C19 C18 120.1(5) . . ?
C20 C19 H19A 119.9 . . ?
C18 C19 H19A 119.9 . . ?
C19 C20 C21 119.1(4) . . ?
C19 C20 H20A 120.4 . . ?
C21 C20 H20A 120.4 . . ?
C20 C21 C22 120.1(5) . . ?
C20 C21 H21A 120.0 . . ?
C22 C21 H21A 120.0 . . ?
C17 C22 C21 122.2(5) . . ?
C17 C22 H22A 118.9 . . ?
C21 C22 H22A 118.9 . . ?
C23 Si2 C24 107.7(8) . . ?
C23 Si2 C4 109.2(7) . . ?
C24 Si2 C4 117.8(3) . . ?
C23 Si2 C25 106.5(9) . . ?
C24 Si2 C25 107.3(4) . . ?
C4 Si2 C25 107.9(3) . . ?
C27 C25 C26 108.6(13) . . ?
C27 C25 C28 107.6(7) . . ?
C26 C25 C28 107.6(10) . . ?
C27 C25 Si2 114.1(6) . . ?
C26 C25 Si2 110.9(8) . . ?
C28 C25 Si2 107.7(6) . . ?
C31 Si3 C4 106.1(4) . . ?
C31 Si3 C30 107.0(8) . . ?
C4 Si3 C30 112.8(6) . . ?
C31 Si3 C29 110.1(5) . . ?
C4 Si3 C29 118.1(4) . . ?
C30 Si3 C29 102.2(9) . . ?
Si3 C29 H29A 109.5 . . ?
Si3 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si3 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si3 C30 H30A 109.5 . . ?
Si3 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si3 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C33 C31 C32 111.2(14) . . ?
C33 C31 C34 108.4(11) . . ?
C32 C31 C34 107.1(8) . . ?
C33 C31 Si3 109.7(11) . . ?
C32 C31 Si3 110.0(8) . . ?
C34 C31 Si3 110.3(7) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O1 Li1 C3 143.5(4) . . ?
O1 Li1 C2 151.4(4) . . ?
C3 Li1 C2 38.95(17) . . ?
O1 Li1 C4 134.5(4) . . ?
C3 Li1 C4 37.21(17) . . ?
C2 Li1 C4 67.3(2) . . ?
O1 Li1 C1 146.6(4) . . ?
C3 Li1 C1 67.4(2) . . ?
C2 Li1 C1 37.12(17) . . ?
C4 Li1 C1 76.3(3) . . ?
O1 Li1 Pb1 127.5(3) . . ?
C3 Li1 Pb1 79.3(2) . . ?
C2 Li1 Pb1 78.9(2) . . ?
C4 Li1 Pb1 54.02(19) . . ?
C1 Li1 Pb1 53.51(18) . . ?
O1 Li1 Li2 173.4(4) . . ?
C3 Li1 Li2 34.86(19) . . ?
C2 Li1 Li2 34.2(2) . . ?
C4 Li1 Li2 39.2(2) . . ?
C1 Li1 Li2 38.46(19) . . ?
Pb1 Li1 Li2 49.31(17) . . ?
C38 O1 C35 108.6(3) . . ?
C38 O1 Li1 128.8(3) . . ?
C35 O1 Li1 118.5(3) . . ?
O1 C35 C36 106.7(3) . . ?
O1 C35 H35A 110.4 . . ?
C36 C35 H35A 110.4 . . ?
O1 C35 H35B 110.4 . . ?
C36 C35 H35B 110.4 . . ?
H35A C35 H35B 108.6 . . ?
C35 C36 C37 104.3(4) . . ?
C35 C36 H36A 110.9 . . ?
C37 C36 H36A 110.9 . . ?
C35 C36 H36B 110.9 . . ?
C37 C36 H36B 110.9 . . ?
H36A C36 H36B 108.9 . . ?
C38 C37 C36 102.4(4) . . ?
C38 C37 H37A 111.3 . . ?
C36 C37 H37A 111.3 . . ?
C38 C37 H37B 111.3 . . ?
C36 C37 H37B 111.3 . . ?
H37A C37 H37B 109.2 . . ?
O1 C38 C37 106.4(4) . . ?
O1 C38 H38A 110.4 . . ?
C37 C38 H38A 110.4 . . ?
O1 C38 H38B 110.4 . . ?
C37 C38 H38B 110.4 . . ?
H38A C38 H38B 108.6 . . ?
O2 Li2 C2 138.4(5) . . ?
O2 Li2 C3 144.5(4) . . ?
C2 Li2 C3 39.72(18) . . ?
O2 Li2 C1 135.7(4) . . ?
C2 Li2 C1 37.82(18) . . ?
C3 Li2 C1 68.4(3) . . ?
O2 Li2 C4 147.2(4) . . ?
C2 Li2 C4 68.0(3) . . ?
C3 Li2 C4 37.28(19) . . ?
C1 Li2 C4 76.7(3) . . ?
O2 Li2 Pb1 133.9(4) . . ?
C2 Li2 Pb1 79.9(3) . . ?
C3 Li2 Pb1 79.9(3) . . ?
C1 Li2 Pb1 53.83(18) . . ?
C4 Li2 Pb1 54.02(19) . . ?
O2 Li2 Li1 173.2(4) . . ?
C2 Li2 Li1 35.3(2) . . ?
C3 Li2 Li1 35.37(19) . . ?
C1 Li2 Li1 39.08(19) . . ?
C4 Li2 Li1 39.01(19) . . ?
Pb1 Li2 Li1 49.43(17) . . ?
C39 O2 C42 105.5(3) . . ?
C39 O2 Li2 118.0(3) . . ?
C42 O2 Li2 116.2(4) . . ?
O2 C39 C40 105.2(3) . . ?
O2 C39 H39A 110.7 . . ?
C40 C39 H39A 110.7 . . ?
O2 C39 H39B 110.7 . . ?
C40 C39 H39B 110.7 . . ?
H39A C39 H39B 108.8 . . ?
C39 C40 C41 104.3(3) . . ?
C39 C40 H40A 110.9 . . ?
C41 C40 H40A 110.9 . . ?
C39 C40 H40B 110.9 . . ?
C41 C40 H40B 110.9 . . ?
H40A C40 H40B 108.9 . . ?
C42 C41 C40 104.9(3) . . ?
C42 C41 H41A 110.8 . . ?
C40 C41 H41A 110.8 . . ?
C42 C41 H41B 110.8 . . ?
C40 C41 H41B 110.8 . . ?
H41A C41 H41B 108.8 . . ?
O2 C42 C41 106.9(3) . . ?
O2 C42 H42A 110.3 . . ?
C41 C42 H42A 110.3 . . ?
O2 C42 H42B 110.3 . . ?
C41 C42 H42B 110.3 . . ?
H42A C42 H42B 108.6 . . ?

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
C4 Pb1 C1 C2 -0.8(3) . . . . ?
Li2 Pb1 C1 C2 53.8(3) . . . . ?
Li1 Pb1 C1 C2 -55.2(3) . . . . ?
C4 Pb1 C1 Si1 -179.1(2) . . . . ?
Li2 Pb1 C1 Si1 -124.5(3) . . . . ?
Li1 Pb1 C1 Si1 126.5(3) . . . . ?
C4 Pb1 C1 Li2 -54.7(2) . . . . ?
Li1 Pb1 C1 Li2 -109.0(3) . . . . ?
C4 Pb1 C1 Li1 54.4(2) . . . . ?
Li2 Pb1 C1 Li1 109.0(3) . . . . ?
Si1 C1 C2 C3 178.9(3) . . . . ?
Li2 C1 C2 C3 58.6(4) . . . . ?
Li1 C1 C2 C3 -57.3(4) . . . . ?
Pb1 C1 C2 C3 0.9(4) . . . . ?
Si1 C1 C2 C11 4.1(5) . . . . ?
Li2 C1 C2 C11 -116.2(4) . . . . ?
Li1 C1 C2 C11 127.8(4) . . . . ?
Pb1 C1 C2 C11 -173.9(3) . . . . ?
Si1 C1 C2 Li2 120.3(4) . . . . ?
Li1 C1 C2 Li2 -116.0(3) . . . . ?
Pb1 C1 C2 Li2 -57.8(3) . . . . ?
Si1 C1 C2 Li1 -123.7(4) . . . . ?
Li2 C1 C2 Li1 116.0(3) . . . . ?
Pb1 C1 C2 Li1 58.2(3) . . . . ?
C1 C2 C3 C4 -0.3(5) . . . . ?
C11 C2 C3 C4 174.7(4) . . . . ?
Li2 C2 C3 C4 60.9(4) . . . . ?
Li1 C2 C3 C4 -60.2(4) . . . . ?
C1 C2 C3 C17 -179.6(3) . . . . ?
C11 C2 C3 C17 -4.6(5) . . . . ?
Li2 C2 C3 C17 -118.4(4) . . . . ?
Li1 C2 C3 C17 120.5(4) . . . . ?
C1 C2 C3 Li2 -61.2(4) . . . . ?
C11 C2 C3 Li2 113.8(4) . . . . ?
Li1 C2 C3 Li2 -121.0(3) . . . . ?
C1 C2 C3 Li1 59.9(4) . . . . ?
C11 C2 C3 Li1 -125.1(4) . . . . ?
Li2 C2 C3 Li1 121.0(3) . . . . ?
C2 C3 C4 Si3 -162.4(4) . . . . ?
C17 C3 C4 Si3 16.9(7) . . . . ?
Li2 C3 C4 Si3 -105.3(5) . . . . ?
Li1 C3 C4 Si3 139.7(5) . . . . ?
C2 C3 C4 Si2 162.3(3) . . . . ?
C17 C3 C4 Si2 -18.4(6) . . . . ?
Li2 C3 C4 Si2 -140.6(4) . . . . ?
Li1 C3 C4 Si2 104.4(4) . . . . ?
C2 C3 C4 Li1 57.9(4) . . . . ?
C17 C3 C4 Li1 -122.8(4) . . . . ?
Li2 C3 C4 Li1 115.0(3) . . . . ?
C2 C3 C4 Li2 -57.2(4) . . . . ?
C17 C3 C4 Li2 122.1(4) . . . . ?
Li1 C3 C4 Li2 -115.0(3) . . . . ?
C2 C3 C4 Pb1 -0.5(5) . . . . ?
C17 C3 C4 Pb1 178.8(3) . . . . ?
Li2 C3 C4 Pb1 56.7(3) . . . . ?
Li1 C3 C4 Pb1 -58.3(3) . . . . ?
C1 Pb1 C4 C3 0.7(3) . . . . ?
Li2 Pb1 C4 C3 -53.3(3) . . . . ?
Li1 Pb1 C4 C3 55.4(3) . . . . ?
C1 Pb1 C4 Si3 165.2(3) . . . . ?
Li2 Pb1 C4 Si3 111.3(4) . . . . ?
Li1 Pb1 C4 Si3 -140.0(4) . . . . ?
C1 Pb1 C4 Si2 -163.5(3) . . . . ?
Li2 Pb1 C4 Si2 142.6(4) . . . . ?
Li1 Pb1 C4 Si2 -108.7(3) . . . . ?
C1 Pb1 C4 Li1 -54.8(2) . . . . ?
Li2 Pb1 C4 Li1 -108.7(3) . . . . ?
C1 Pb1 C4 Li2 53.9(2) . . . . ?
Li1 Pb1 C4 Li2 108.7(3) . . . . ?
C2 C1 Si1 C5 -29.5(4) . . . . ?
Li2 C1 Si1 C5 58.9(4) . . . . ?
Li1 C1 Si1 C5 -121.3(3) . . . . ?
Pb1 C1 Si1 C5 148.53(19) . . . . ?
C2 C1 Si1 C6 -146.9(3) . . . . ?
Li2 C1 Si1 C6 -58.6(4) . . . . ?
Li1 C1 Si1 C6 121.2(3) . . . . ?
Pb1 C1 Si1 C6 31.1(2) . . . . ?
C2 C1 Si1 C7 94.5(4) . . . . ?
Li2 C1 Si1 C7 -177.2(3) . . . . ?
Li1 C1 Si1 C7 2.6(4) . . . . ?
Pb1 C1 Si1 C7 -87.5(2) . . . . ?
C1 Si1 C7 C8 -50.2(3) . . . . ?
C5 Si1 C7 C8 77.3(3) . . . . ?
C6 Si1 C7 C8 -169.9(3) . . . . ?
C1 Si1 C7 C9 71.2(3) . . . . ?
C5 Si1 C7 C9 -161.4(3) . . . . ?
C6 Si1 C7 C9 -48.6(3) . . . . ?
C1 Si1 C7 C10 -169.1(3) . . . . ?
C5 Si1 C7 C10 -41.7(4) . . . . ?
C6 Si1 C7 C10 71.1(4) . . . . ?
C1 C2 C11 C16 92.6(5) . . . . ?
C3 C2 C11 C16 -82.2(4) . . . . ?
Li2 C2 C11 C16 1.1(5) . . . . ?
Li1 C2 C11 C16 -169.7(4) . . . . ?
C1 C2 C11 C12 -84.9(5) . . . . ?
C3 C2 C11 C12 100.3(4) . . . . ?
Li2 C2 C11 C12 -176.4(4) . . . . ?
Li1 C2 C11 C12 12.8(6) . . . . ?
C16 C11 C12 C13 -2.8(6) . . . . ?
C2 C11 C12 C13 174.7(3) . . . . ?
C11 C12 C13 C14 1.9(6) . . . . ?
C12 C13 C14 C15 0.8(7) . . . . ?
C13 C14 C15 C16 -2.5(7) . . . . ?
C14 C15 C16 C11 1.6(7) . . . . ?
C12 C11 C16 C15 1.1(6) . . . . ?
C2 C11 C16 C15 -176.5(4) . . . . ?
C4 C3 C17 C22 98.0(5) . . . . ?
C2 C3 C17 C22 -82.7(5) . . . . ?
Li2 C3 C17 C22 -166.2(4) . . . . ?
Li1 C3 C17 C22 3.3(6) . . . . ?
C4 C3 C17 C18 -78.9(6) . . . . ?
C2 C3 C17 C18 100.3(5) . . . . ?
Li2 C3 C17 C18 16.8(6) . . . . ?
Li1 C3 C17 C18 -173.7(4) . . . . ?
C22 C17 C18 C19 -1.1(8) . . . . ?
C3 C17 C18 C19 176.0(5) . . . . ?
C17 C18 C19 C20 2.5(9) . . . . ?
C18 C19 C20 C21 -2.2(9) . . . . ?
C19 C20 C21 C22 0.6(8) . . . . ?
C18 C17 C22 C21 -0.5(7) . . . . ?
C3 C17 C22 C21 -177.6(5) . . . . ?
C20 C21 C22 C17 0.8(8) . . . . ?
C3 C4 Si2 C23 -135.9(9) . . . . ?
Si3 C4 Si2 C23 117.3(9) . . . . ?
Li1 C4 Si2 C23 -56.8(9) . . . . ?
Li2 C4 Si2 C23 125.5(10) . . . . ?
Pb1 C4 Si2 C23 26.1(9) . . . . ?
C3 C4 Si2 C24 -12.7(6) . . . . ?
Si3 C4 Si2 C24 -119.6(4) . . . . ?
Li1 C4 Si2 C24 66.3(5) . . . . ?
Li2 C4 Si2 C24 -111.3(6) . . . . ?
Pb1 C4 Si2 C24 149.2(4) . . . . ?
C3 C4 Si2 C25 108.8(5) . . . . ?
Si3 C4 Si2 C25 1.9(3) . . . . ?
Li1 C4 Si2 C25 -172.2(3) . . . . ?
Li2 C4 Si2 C25 10.1(6) . . . . ?
Pb1 C4 Si2 C25 -89.3(3) . . . . ?
C23 Si2 C25 C27 -175.0(9) . . . . ?
C24 Si2 C25 C27 69.9(7) . . . . ?
C4 Si2 C25 C27 -57.9(7) . . . . ?
C23 Si2 C25 C26 -51.9(14) . . . . ?
C24 Si2 C25 C26 -167.0(12) . . . . ?
C4 Si2 C25 C26 65.2(12) . . . . ?
C23 Si2 C25 C28 65.6(9) . . . . ?
C24 Si2 C25 C28 -49.5(6) . . . . ?
C4 Si2 C25 C28 -177.3(5) . . . . ?
C3 C4 Si3 C31 -106.8(5) . . . . ?
Si2 C4 Si3 C31 -11.8(3) . . . . ?
Li1 C4 Si3 C31 -2.9(6) . . . . ?
Li2 C4 Si3 C31 173.7(4) . . . . ?
Pb1 C4 Si3 C31 91.5(4) . . . . ?
C3 C4 Si3 C30 136.4(9) . . . . ?
Si2 C4 Si3 C30 -128.6(9) . . . . ?
Li1 C4 Si3 C30 -119.8(10) . . . . ?
Li2 C4 Si3 C30 56.8(9) . . . . ?
Pb1 C4 Si3 C30 -25.3(9) . . . . ?
C3 C4 Si3 C29 17.3(8) . . . . ?
Si2 C4 Si3 C29 112.4(6) . . . . ?
Li1 C4 Si3 C29 121.2(7) . . . . ?
Li2 C4 Si3 C29 -62.2(6) . . . . ?
Pb1 C4 Si3 C29 -144.4(5) . . . . ?
C4 Si3 C31 C33 -72.5(11) . . . . ?
C30 Si3 C31 C33 48.1(13) . . . . ?
C29 Si3 C31 C33 158.5(12) . . . . ?
C4 Si3 C31 C32 50.2(8) . . . . ?
C30 Si3 C31 C32 170.8(10) . . . . ?
C29 Si3 C31 C32 -78.8(9) . . . . ?
C4 Si3 C31 C34 168.1(6) . . . . ?
C30 Si3 C31 C34 -71.2(9) . . . . ?
C29 Si3 C31 C34 39.2(9) . . . . ?
C4 C3 Li1 O1 -99.6(7) . . . . ?
C2 C3 Li1 O1 132.6(7) . . . . ?
C17 C3 Li1 O1 20.2(9) . . . . ?
Li2 C3 Li1 O1 -169.1(6) . . . . ?
C4 C3 Li1 C2 127.8(3) . . . . ?
C17 C3 Li1 C2 -112.4(4) . . . . ?
Li2 C3 Li1 C2 58.4(3) . . . . ?
C2 C3 Li1 C4 -127.8(3) . . . . ?
C17 C3 Li1 C4 119.8(4) . . . . ?
Li2 C3 Li1 C4 -69.5(3) . . . . ?
C4 C3 Li1 C1 97.1(3) . . . . ?
C2 C3 Li1 C1 -30.8(2) . . . . ?
C17 C3 Li1 C1 -143.2(3) . . . . ?
Li2 C3 Li1 C1 27.6(3) . . . . ?
C4 C3 Li1 Pb1 42.3(2) . . . . ?
C2 C3 Li1 Pb1 -85.6(2) . . . . ?
C17 C3 Li1 Pb1 162.0(3) . . . . ?
Li2 C3 Li1 Pb1 -27.2(3) . . . . ?
C4 C3 Li1 Li2 69.5(3) . . . . ?
C2 C3 Li1 Li2 -58.4(3) . . . . ?
C17 C3 Li1 Li2 -170.8(5) . . . . ?
C1 C2 Li1 O1 117.7(8) . . . . ?
C3 C2 Li1 O1 -113.8(8) . . . . ?
C11 C2 Li1 O1 -2.2(10) . . . . ?
Li2 C2 Li1 O1 -173.7(7) . . . . ?
C1 C2 Li1 C3 -128.5(3) . . . . ?
C11 C2 Li1 C3 111.6(4) . . . . ?
Li2 C2 Li1 C3 -59.9(3) . . . . ?
C1 C2 Li1 C4 -97.3(3) . . . . ?
C3 C2 Li1 C4 31.2(2) . . . . ?
C11 C2 Li1 C4 142.8(4) . . . . ?
Li2 C2 Li1 C4 -28.7(3) . . . . ?
C3 C2 Li1 C1 128.5(3) . . . . ?
C11 C2 Li1 C1 -120.0(4) . . . . ?
Li2 C2 Li1 C1 68.6(3) . . . . ?
C1 C2 Li1 Pb1 -41.82(19) . . . . ?
C3 C2 Li1 Pb1 86.6(2) . . . . ?
C11 C2 Li1 Pb1 -161.8(3) . . . . ?
Li2 C2 Li1 Pb1 26.8(3) . . . . ?
C1 C2 Li1 Li2 -68.6(3) . . . . ?
C3 C2 Li1 Li2 59.9(3) . . . . ?
C11 C2 Li1 Li2 171.4(5) . . . . ?
C3 C4 Li1 O1 124.8(6) . . . . ?
Si3 C4 Li1 O1 -0.5(8) . . . . ?
Si2 C4 Li1 O1 4.1(6) . . . . ?
Li2 C4 Li1 O1 -177.3(5) . . . . ?
Pb1 C4 Li1 O1 -109.9(5) . . . . ?
Si3 C4 Li1 C3 -125.3(5) . . . . ?
Si2 C4 Li1 C3 -120.8(3) . . . . ?
Li2 C4 Li1 C3 57.8(3) . . . . ?
Pb1 C4 Li1 C3 125.2(3) . . . . ?
C3 C4 Li1 C2 -32.6(2) . . . . ?
Si3 C4 Li1 C2 -157.9(4) . . . . ?
Si2 C4 Li1 C2 -153.3(2) . . . . ?
Li2 C4 Li1 C2 25.3(3) . . . . ?
Pb1 C4 Li1 C2 92.66(19) . . . . ?
C3 C4 Li1 C1 -70.6(3) . . . . ?
Si3 C4 Li1 C1 164.1(4) . . . . ?
Si2 C4 Li1 C1 168.6(2) . . . . ?
Li2 C4 Li1 C1 -12.8(3) . . . . ?
Pb1 C4 Li1 C1 54.62(16) . . . . ?
C3 C4 Li1 Pb1 -125.2(3) . . . . ?
Si3 C4 Li1 Pb1 109.5(4) . . . . ?
Si2 C4 Li1 Pb1 114.0(2) . . . . ?
Li2 C4 Li1 Pb1 -67.4(2) . . . . ?
C3 C4 Li1 Li2 -57.8(3) . . . . ?
Si3 C4 Li1 Li2 176.9(5) . . . . ?
Si2 C4 Li1 Li2 -178.6(4) . . . . ?
Pb1 C4 Li1 Li2 67.4(2) . . . . ?
C2 C1 Li1 O1 -129.8(8) . . . . ?
Si1 C1 Li1 O1 -7.0(9) . . . . ?
Li2 C1 Li1 O1 172.8(7) . . . . ?
Pb1 C1 Li1 O1 104.7(7) . . . . ?
C2 C1 Li1 C3 32.2(2) . . . . ?
Si1 C1 Li1 C3 155.0(3) . . . . ?
Li2 C1 Li1 C3 -25.2(3) . . . . ?
Pb1 C1 Li1 C3 -93.3(2) . . . . ?
Si1 C1 Li1 C2 122.8(3) . . . . ?
Li2 C1 Li1 C2 -57.4(3) . . . . ?
Pb1 C1 Li1 C2 -125.5(2) . . . . ?
C2 C1 Li1 C4 70.4(2) . . . . ?
Si1 C1 Li1 C4 -166.9(3) . . . . ?
Li2 C1 Li1 C4 13.0(3) . . . . ?
Pb1 C1 Li1 C4 -55.14(17) . . . . ?
C2 C1 Li1 Pb1 125.5(2) . . . . ?
Si1 C1 Li1 Pb1 -111.7(3) . . . . ?
Li2 C1 Li1 Pb1 68.1(2) . . . . ?
C2 C1 Li1 Li2 57.4(3) . . . . ?
Si1 C1 Li1 Li2 -179.8(4) . . . . ?
Pb1 C1 Li1 Li2 -68.1(2) . . . . ?
C1 Pb1 Li1 O1 -137.8(5) . . . . ?
C4 Pb1 Li1 O1 122.3(5) . . . . ?
Li2 Pb1 Li1 O1 172.6(4) . . . . ?
C1 Pb1 Li1 C3 69.7(2) . . . . ?
C4 Pb1 Li1 C3 -30.18(18) . . . . ?
Li2 Pb1 Li1 C3 20.2(2) . . . . ?
C1 Pb1 Li1 C2 30.03(16) . . . . ?
C4 Pb1 Li1 C2 -69.9(2) . . . . ?
Li2 Pb1 Li1 C2 -19.5(2) . . . . ?
C1 Pb1 Li1 C4 99.9(2) . . . . ?
Li2 Pb1 Li1 C4 50.3(2) . . . . ?
C4 Pb1 Li1 C1 -99.9(2) . . . . ?
Li2 Pb1 Li1 C1 -49.6(2) . . . . ?
C1 Pb1 Li1 Li2 49.6(2) . . . . ?
C4 Pb1 Li1 Li2 -50.3(2) . . . . ?
C3 Li1 O1 C38 -16.4(9) . . . . ?
C2 Li1 O1 C38 59.0(10) . . . . ?
C4 Li1 O1 C38 -73.1(7) . . . . ?
C1 Li1 O1 C38 134.9(7) . . . . ?
Pb1 Li1 O1 C38 -146.5(4) . . . . ?
Li2 Li1 O1 C38 -88(3) . . . . ?
C3 Li1 O1 C35 138.0(6) . . . . ?
C2 Li1 O1 C35 -146.5(7) . . . . ?
C4 Li1 O1 C35 81.3(6) . . . . ?
C1 Li1 O1 C35 -70.7(8) . . . . ?
Pb1 Li1 O1 C35 7.9(5) . . . . ?
Li2 Li1 O1 C35 66(3) . . . . ?
C38 O1 C35 C36 -5.8(5) . . . . ?
Li1 O1 C35 C36 -165.0(4) . . . . ?
O1 C35 C36 C37 -15.5(5) . . . . ?
C35 C36 C37 C38 29.8(5) . . . . ?
C35 O1 C38 C37 25.4(5) . . . . ?
Li1 O1 C38 C37 -178.2(4) . . . . ?
C36 C37 C38 O1 -34.2(5) . . . . ?
C1 C2 Li2 O2 -107.9(6) . . . . ?
C3 C2 Li2 O2 124.4(6) . . . . ?
C11 C2 Li2 O2 11.4(8) . . . . ?
Li1 C2 Li2 O2 -176.2(5) . . . . ?
C1 C2 Li2 C3 127.7(3) . . . . ?
C11 C2 Li2 C3 -112.9(4) . . . . ?
Li1 C2 Li2 C3 59.5(3) . . . . ?
C3 C2 Li2 C1 -127.7(3) . . . . ?
C11 C2 Li2 C1 119.3(4) . . . . ?
Li1 C2 Li2 C1 -68.2(3) . . . . ?
C1 C2 Li2 C4 96.6(3) . . . . ?
C3 C2 Li2 C4 -31.1(2) . . . . ?
C11 C2 Li2 C4 -144.0(3) . . . . ?
Li1 C2 Li2 C4 28.4(3) . . . . ?
C1 C2 Li2 Pb1 41.5(2) . . . . ?
C3 C2 Li2 Pb1 -86.2(2) . . . . ?
C11 C2 Li2 Pb1 160.8(3) . . . . ?
Li1 C2 Li2 Pb1 -26.7(3) . . . . ?
C1 C2 Li2 Li1 68.2(3) . . . . ?
C3 C2 Li2 Li1 -59.5(3) . . . . ?
C11 C2 Li2 Li1 -172.4(5) . . . . ?
C4 C3 Li2 O2 123.2(8) . . . . ?
C2 C3 Li2 O2 -109.0(8) . . . . ?
C17 C3 Li2 O2 2.7(10) . . . . ?
Li1 C3 Li2 O2 -168.2(7) . . . . ?
C4 C3 Li2 C2 -127.8(3) . . . . ?
C17 C3 Li2 C2 111.7(4) . . . . ?
Li1 C3 Li2 C2 -59.2(3) . . . . ?
C4 C3 Li2 C1 -96.3(3) . . . . ?
C2 C3 Li2 C1 31.4(2) . . . . ?
C17 C3 Li2 C1 143.1(3) . . . . ?
Li1 C3 Li2 C1 -27.8(3) . . . . ?
C2 C3 Li2 C4 127.8(3) . . . . ?
C17 C3 Li2 C4 -120.5(4) . . . . ?
Li1 C3 Li2 C4 68.6(3) . . . . ?
C4 C3 Li2 Pb1 -41.4(2) . . . . ?
C2 C3 Li2 Pb1 86.4(2) . . . . ?
C17 C3 Li2 Pb1 -161.9(3) . . . . ?
Li1 C3 Li2 Pb1 27.2(3) . . . . ?
C4 C3 Li2 Li1 -68.6(3) . . . . ?
C2 C3 Li2 Li1 59.2(3) . . . . ?
C17 C3 Li2 Li1 170.9(5) . . . . ?
C2 C1 Li2 O2 115.1(6) . . . . ?
Si1 C1 Li2 O2 -6.7(8) . . . . ?
Li1 C1 Li2 O2 173.4(5) . . . . ?
Pb1 C1 Li2 O2 -118.8(6) . . . . ?
Si1 C1 Li2 C2 -121.9(3) . . . . ?
Li1 C1 Li2 C2 58.3(3) . . . . ?
Pb1 C1 Li2 C2 126.1(3) . . . . ?
C2 C1 Li2 C3 -32.9(2) . . . . ?
Si1 C1 Li2 C3 -154.8(3) . . . . ?
Li1 C1 Li2 C3 25.3(3) . . . . ?
Pb1 C1 Li2 C3 93.2(2) . . . . ?
C2 C1 Li2 C4 -71.2(3) . . . . ?
Si1 C1 Li2 C4 167.0(2) . . . . ?
Li1 C1 Li2 C4 -12.9(3) . . . . ?
Pb1 C1 Li2 C4 54.93(17) . . . . ?
C2 C1 Li2 Pb1 -126.1(3) . . . . ?
Si1 C1 Li2 Pb1 112.0(3) . . . . ?
Li1 C1 Li2 Pb1 -67.8(2) . . . . ?
C2 C1 Li2 Li1 -58.3(3) . . . . ?
Si1 C1 Li2 Li1 179.9(4) . . . . ?
Pb1 C1 Li2 Li1 67.8(2) . . . . ?
C3 C4 Li2 O2 -116.4(8) . . . . ?
Si3 C4 Li2 O2 6.9(9) . . . . ?
Si2 C4 Li2 O2 2.6(11) . . . . ?
Li1 C4 Li2 O2 -175.2(7) . . . . ?
Pb1 C4 Li2 O2 117.1(8) . . . . ?
C3 C4 Li2 C2 33.0(2) . . . . ?
Si3 C4 Li2 C2 156.3(3) . . . . ?
Si2 C4 Li2 C2 152.0(4) . . . . ?
Li1 C4 Li2 C2 -25.8(3) . . . . ?
Pb1 C4 Li2 C2 -93.5(2) . . . . ?
Si3 C4 Li2 C3 123.3(3) . . . . ?
Si2 C4 Li2 C3 119.0(5) . . . . ?
Li1 C4 Li2 C3 -58.9(3) . . . . ?
Pb1 C4 Li2 C3 -126.5(3) . . . . ?
C3 C4 Li2 C1 71.8(3) . . . . ?
Si3 C4 Li2 C1 -164.9(2) . . . . ?
Si2 C4 Li2 C1 -169.3(4) . . . . ?
Li1 C4 Li2 C1 12.9(3) . . . . ?
Pb1 C4 Li2 C1 -54.73(17) . . . . ?
C3 C4 Li2 Pb1 126.5(3) . . . . ?
Si3 C4 Li2 Pb1 -110.2(2) . . . . ?
Si2 C4 Li2 Pb1 -114.5(4) . . . . ?
Li1 C4 Li2 Pb1 67.6(2) . . . . ?
C3 C4 Li2 Li1 58.9(3) . . . . ?
Si3 C4 Li2 Li1 -177.8(4) . . . . ?
Si2 C4 Li2 Li1 177.8(6) . . . . ?
Pb1 C4 Li2 Li1 -67.6(2) . . . . ?
C1 Pb1 Li2 O2 121.8(6) . . . . ?
C4 Pb1 Li2 O2 -138.0(6) . . . . ?
Li1 Pb1 Li2 O2 172.0(6) . . . . ?
C1 Pb1 Li2 C2 -30.21(17) . . . . ?
C4 Pb1 Li2 C2 70.0(2) . . . . ?
Li1 Pb1 Li2 C2 20.0(2) . . . . ?
C1 Pb1 Li2 C3 -70.6(2) . . . . ?
C4 Pb1 Li2 C3 29.64(18) . . . . ?
Li1 Pb1 Li2 C3 -20.4(2) . . . . ?
C4 Pb1 Li2 C1 100.2(2) . . . . ?
Li1 Pb1 Li2 C1 50.2(2) . . . . ?
C1 Pb1 Li2 C4 -100.2(2) . . . . ?
Li1 Pb1 Li2 C4 -50.0(2) . . . . ?
C1 Pb1 Li2 Li1 -50.2(2) . . . . ?
C4 Pb1 Li2 Li1 50.0(2) . . . . ?
O1 Li1 Li2 O2 175(3) . . . . ?
C3 Li1 Li2 O2 94(3) . . . . ?
C2 Li1 Li2 O2 22(3) . . . . ?
C4 Li1 Li2 O2 158(3) . . . . ?
C1 Li1 Li2 O2 -43(3) . . . . ?
Pb1 Li1 Li2 O2 -122(3) . . . . ?
O1 Li1 Li2 C2 152(3) . . . . ?
C3 Li1 Li2 C2 72.0(4) . . . . ?
C4 Li1 Li2 C2 135.6(5) . . . . ?
C1 Li1 Li2 C2 -64.6(3) . . . . ?
Pb1 Li1 Li2 C2 -144.3(4) . . . . ?
O1 Li1 Li2 C3 80(3) . . . . ?
C2 Li1 Li2 C3 -72.0(4) . . . . ?
C4 Li1 Li2 C3 63.6(3) . . . . ?
C1 Li1 Li2 C3 -136.6(5) . . . . ?
Pb1 Li1 Li2 C3 143.7(4) . . . . ?
O1 Li1 Li2 C1 -143(3) . . . . ?
C3 Li1 Li2 C1 136.6(5) . . . . ?
C2 Li1 Li2 C1 64.6(3) . . . . ?
C4 Li1 Li2 C1 -159.8(5) . . . . ?
Pb1 Li1 Li2 C1 -79.7(3) . . . . ?
O1 Li1 Li2 C4 17(3) . . . . ?
C3 Li1 Li2 C4 -63.6(3) . . . . ?
C2 Li1 Li2 C4 -135.6(5) . . . . ?
C1 Li1 Li2 C4 159.8(5) . . . . ?
Pb1 Li1 Li2 C4 80.1(3) . . . . ?
O1 Li1 Li2 Pb1 -63(3) . . . . ?
C3 Li1 Li2 Pb1 -143.7(4) . . . . ?
C2 Li1 Li2 Pb1 144.3(4) . . . . ?
C4 Li1 Li2 Pb1 -80.1(3) . . . . ?
C1 Li1 Li2 Pb1 79.7(3) . . . . ?
C2 Li2 O2 C39 71.3(7) . . . . ?
C3 Li2 O2 C39 136.7(7) . . . . ?
C1 Li2 O2 C39 14.7(7) . . . . ?
C4 Li2 O2 C39 -154.0(6) . . . . ?
Pb1 Li2 O2 C39 -64.6(6) . . . . ?
Li1 Li2 O2 C39 52(3) . . . . ?
C2 Li2 O2 C42 -161.8(5) . . . . ?
C3 Li2 O2 C42 -96.4(8) . . . . ?
C1 Li2 O2 C42 141.5(5) . . . . ?
C4 Li2 O2 C42 -27.1(9) . . . . ?
Pb1 Li2 O2 C42 62.2(6) . . . . ?
Li1 Li2 O2 C42 179(3) . . . . ?
C42 O2 C39 C40 37.3(4) . . . . ?
Li2 O2 C39 C40 169.1(4) . . . . ?
O2 C39 C40 C41 -27.9(4) . . . . ?
C39 C40 C41 C42 8.6(5) . . . . ?
C39 O2 C42 C41 -31.9(5) . . . . ?
Li2 O2 C42 C41 -164.7(4) . . . . ?
C40 C41 C42 O2 13.7(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         1.289
_refine_diff_density_min         -1.165
_refine_diff_density_rms         0.112
