#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/66/7116662.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7116662
loop_
_publ_author_name
'Masaichi Saito'
'Marisa Nakada'
'Takuya Kuwabara'
'Mao Minoura'
_publ_section_title
;
 A reversible two-electron redox system involving a divalent lead species
;
_journal_name_full               Chem.Commun.
_journal_page_first              4674
_journal_paper_doi               10.1039/C4cc09856K
_journal_volume                  51
_journal_year                    2015
_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
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-10-23 deposited with the CCDC.
2015-02-10 downloaded from the CCDC.
;
_cell_angle_alpha                99.2540(10)
_cell_angle_beta                 107.1500(10)
_cell_angle_gamma                107.8820(10)
_cell_formula_units_Z            2
_cell_length_a                   12.2658(10)
_cell_length_b                   16.7325(13)
_cell_length_c                   20.3750(16)
_cell_measurement_reflns_used    9985
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.93
_cell_measurement_theta_min      2.22
_cell_volume                     3654.6(5)
_computing_cell_refinement       'Bruker SAINT (Bruker 2008)'
_computing_data_collection       'Bruker APEX2 (Bruker 2008)'
_computing_data_reduction        'Bruker SAINT and XPREP (Bruker 2008)'
_computing_molecular_graphics    'XSHEL (Bruker, 2002)'
_computing_publication_material  'XCIF (Bruker, 2001)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            27468
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.09
_exptl_absorpt_coefficient_mu    4.705
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.829
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'XPREP; Bruker AXS 2008'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.252
_refine_diff_density_min         -0.741
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     731
_refine_ls_number_reflns         13609
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0380P)²+2.1964P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0738
_reflns_number_gt                10861
_reflns_number_total             13609
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc09856k2.cif
_cod_data_source_block           masa826
_cod_original_formula_sum        'C70 H110 Li2 O2 Pb2 Si4 '
_cod_database_code               7116662
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 . .
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'
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
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 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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 .
