#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:27:37 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178900 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/29/4112900.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_4112900
loop_
_publ_author_name
'Anne F. Richards'
'Marcin Brynda'
'Philip P. Power'
_publ_section_title
;
 Reduction of Digermenes with Alkali Metals: Salts of Formula
 M2[{Ge(H)Ar'}2] (M = Li, Na, or K, Ar' = Terphenyl) with Three Different
 Structures
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10530
_journal_page_last               10531
_journal_paper_doi               10.1021/ja047090i
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C76 H98 Ge2 Li2 O4'
_chemical_formula_weight         1234.60
_chemical_name_common            '[Li(THF)3(Et2O)][Li(HGeDipp*)2]'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.4310(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.6448(14)
_cell_length_b                   17.6953(14)
_cell_length_c                   12.6498(10)
_cell_measurement_reflns_used    7124
_cell_measurement_temperature    91(2)
_cell_measurement_theta_max      30.1
_cell_measurement_theta_min      2.3
_cell_volume                     3799.8(5)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART 5.054 (Bruker, 2003)'
_computing_data_reduction        'SAINT 6.36A (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL 5.1 (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      91(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17563
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.66
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.833
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.772
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.05 (Sheldrick, 2002)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.079
_exptl_crystal_description       block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.995
_refine_diff_density_min         -0.680
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     207
_refine_ls_number_reflns         3568
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0996
_refine_ls_R_factor_gt           0.0866
_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)+(0.1544P)²+24.6758P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2484
_refine_ls_wR_factor_ref         0.2612
_reflns_number_gt                2997
_reflns_number_total             3570
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja047090isi20040526_024739.cif
_cod_data_source_block           ar26
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4112900
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Li1 Li 0.5000 0.3622(19) 0.5000 0.052(7) Uani 0.50 2 d SP . .
Ge1 Ge 0.44296(4) 0.5000 0.52092(6) 0.0325(3) Uani 1 2 d S . .
H1 H 0.351(5) 0.5000 0.440(8) 0.05(2) Uiso 1 2 d S . .
C1 C 0.4945(3) 0.5000 0.6983(5) 0.0219(12) Uani 1 2 d S . .
C2 C 0.5104(3) 0.4323(3) 0.7636(4) 0.0257(10) Uani 1 1 d . . .
C3 C 0.5459(3) 0.4329(3) 0.8851(4) 0.0290(10) Uani 1 1 d . . .
H3 H 0.5572 0.3864 0.9262 0.035 Uiso 1 1 calc R . .
C4 C 0.5647(4) 0.5000 0.9459(6) 0.0302(15) Uani 1 2 d S . .
H4AA H 0.5902 0.5000 1.0283 0.036 Uiso 1 2 calc SR . .
C5 C 0.4855(3) 0.3556(3) 0.7092(4) 0.0369(12) Uani 1 1 d . . .
C6 C 0.4066(4) 0.3321(3) 0.6768(5) 0.0475(15) Uani 1 1 d . . .
C7 C 0.3840(5) 0.2578(4) 0.6383(6) 0.080(3) Uani 1 1 d . . .
H7 H 0.3315 0.2417 0.6197 0.096 Uiso 1 1 calc R . .
C8 C 0.4370(8) 0.2086(4) 0.6276(7) 0.113(5) Uani 1 1 d . . .
H8 H 0.4211 0.1588 0.5997 0.135 Uiso 1 1 calc R . .
C9 C 0.5157(7) 0.2317(4) 0.6579(6) 0.088(3) Uani 1 1 d . . .
H9 H 0.5519 0.1974 0.6491 0.106 Uiso 1 1 calc R . .
C10 C 0.5413(5) 0.3054(4) 0.7014(5) 0.0548(18) Uani 1 1 d . A .
C11 C 0.3461(3) 0.3837(3) 0.6894(5) 0.0463(15) Uani 1 1 d . . .
H11 H 0.3674 0.4363 0.6997 0.056 Uiso 1 1 calc R . .
C12 C 0.2683(4) 0.3834(5) 0.5829(6) 0.0596(18) Uani 1 1 d . . .
H12A H 0.2774 0.3977 0.5145 0.089 Uiso 1 1 calc R . .
H12B H 0.2322 0.4197 0.5937 0.089 Uiso 1 1 calc R . .
H12C H 0.2452 0.3327 0.5716 0.089 Uiso 1 1 calc R . .
C13 C 0.3321(5) 0.3636(4) 0.7994(6) 0.070(2) Uani 1 1 d . . .
C14 C 0.6262(5) 0.3270(4) 0.7413(7) 0.069(2) Uani 1 1 d . . .
H14B H 0.6274 0.3801 0.7622 0.083 Uiso 0.50 1 d P . .
H14A H 0.6327 0.3816 0.7483 0.083 Uiso 0.50 1 d P . .
C15A C 0.6433(6) 0.2964(6) 0.6355(9) 0.0279(19) Uiso 0.50 1 d P A 1
H15A H 0.6100 0.3235 0.5645 0.042 Uiso 0.50 1 calc PR A 1
H15B H 0.6315 0.2422 0.6251 0.042 Uiso 0.50 1 calc PR A 1
H15C H 0.6989 0.3047 0.6519 0.042 Uiso 0.50 1 calc PR A 1
C15B C 0.6838(8) 0.3245(8) 0.6774(13) 0.054(3) Uiso 0.50 1 d P A 2
H15D H 0.6582 0.3485 0.6010 0.080 Uiso 0.50 1 calc PR A 2
H15E H 0.6962 0.2718 0.6677 0.080 Uiso 0.50 1 calc PR A 2
H15F H 0.7326 0.3516 0.7240 0.080 Uiso 0.50 1 calc PR A 2
C16 C 0.6763(5) 0.2890(4) 0.8576(7) 0.0634(19) Uani 1 1 d . A .
H16A H 0.6585 0.3058 0.9165 0.095 Uiso 1 1 calc R . .
H16B H 0.7317 0.3030 0.8816 0.095 Uiso 1 1 calc R . .
H16C H 0.6708 0.2340 0.8489 0.095 Uiso 1 1 calc R . .
Li2 Li 0.0830(16) 0.5000 1.027(2) 0.041(6) Uiso 0.50 2 d SP . .
O1 O 0.1826(5) 0.4904(9) 1.1847(8) 0.036(3) Uiso 0.25 1 d PG B -1
C17 C 0.0828(9) 0.4757(14) 1.2723(17) 0.060 Uiso 0.25 1 d PG B -1
H17A H 0.0757 0.4801 1.3446 0.090 Uiso 0.25 1 calc PR B -1
H17B H 0.0718 0.4237 1.2434 0.090 Uiso 0.25 1 calc PR B -1
H17C H 0.0466 0.5103 1.2142 0.090 Uiso 0.25 1 calc PR B -1
C18 C 0.1751(9) 0.4980(19) 1.2972(10) 0.067(6) Uiso 0.50 2 d SPG B -1
H18A H 0.1870 0.5504 1.3266 0.080 Uiso 0.25 1 calc PR B -1
H18B H 0.2123 0.4635 1.3559 0.080 Uiso 0.25 1 calc PR B -1
C19 C 0.2428(10) 0.5307(12) 1.186(2) 0.063(7) Uiso 0.25 1 d PG B -1
H19A H 0.2906 0.5231 1.2584 0.075 Uiso 0.25 1 calc PR B -1
H19B H 0.2300 0.5853 1.1752 0.075 Uiso 0.25 1 calc PR B -1
C20 C 0.2525(10) 0.497(2) 1.0808(14) 0.080(7) Uiso 0.50 2 d SPG B -1
H20A H 0.2961 0.5226 1.0711 0.120 Uiso 0.25 1 calc PR B -1
H20B H 0.2038 0.5047 1.0108 0.120 Uiso 0.25 1 calc PR B -1
H20C H 0.2637 0.4431 1.0933 0.120 Uiso 0.25 1 calc PR B -1
O2 O 0.0897(8) 0.500(2) 0.8727(11) 0.057(3) Uiso 0.50 2 d SPD B -3
C21 C 0.1041(19) 0.5651(14) 0.817(2) 0.054(7) Uiso 0.25 1 d PD B -3
H21A H 0.1509 0.5930 0.8712 0.064 Uiso 0.25 1 calc PR B -3
H21B H 0.0581 0.5995 0.7904 0.064 Uiso 0.25 1 calc PR B -3
C22 C 0.1172(19) 0.5369(14) 0.719(2) 0.056(7) Uiso 0.25 1 d PD B -3
H22A H 0.0951 0.5723 0.6529 0.067 Uiso 0.25 1 calc PR B -3
H22B H 0.1744 0.5313 0.7404 0.067 Uiso 0.25 1 calc PR B -3
C23 C 0.080(2) 0.4664(15) 0.689(2) 0.075(9) Uiso 0.25 1 d PD B -3
H23A H 0.1116 0.4307 0.6665 0.090 Uiso 0.25 1 calc PR B -3
H23B H 0.0273 0.4718 0.6234 0.090 Uiso 0.25 1 calc PR B -3
C24 C 0.071(3) 0.4390(16) 0.791(3) 0.093(13) Uiso 0.25 1 d PD B -3
H24A H 0.0161 0.4218 0.7699 0.112 Uiso 0.25 1 calc PR B -3
H24B H 0.1068 0.3958 0.8254 0.112 Uiso 0.25 1 calc PR B -3
O3 O 0.0405(7) 0.6046(7) 0.9926(14) 0.092(4) Uiso 0.50 1 d PD B -4
C25 C 0.0599(10) 0.6856(10) 1.006(3) 0.123(10) Uiso 0.50 1 d PD B -4
H25A H 0.1095 0.6947 1.0749 0.147 Uiso 0.50 1 calc PR B -4
H25B H 0.0660 0.7050 0.9362 0.147 Uiso 0.50 1 calc PR B -4
C26 C -0.0060(8) 0.7225(6) 1.0181(14) 0.061(4) Uiso 0.50 1 d PD B -4
H26A H -0.0143 0.7744 0.9860 0.073 Uiso 0.50 1 calc PR B -4
H26B H 0.0018 0.7244 1.1004 0.073 Uiso 0.50 1 calc PR B -4
C27 C -0.0721(6) 0.6722(6) 0.9491(12) 0.043(3) Uiso 0.50 1 d PD B -4
H27A H -0.1133 0.6729 0.9793 0.051 Uiso 0.50 1 calc PR B -4
H27B H -0.0958 0.6878 0.8665 0.051 Uiso 0.50 1 calc PR B -4
C28 C -0.0369(6) 0.5976(5) 0.9619(12) 0.038(2) Uiso 0.50 1 d PD . -4
H28A H -0.0464 0.5687 1.0219 0.045 Uiso 0.50 1 calc PR . -4
H28B H -0.0612 0.5697 0.8876 0.045 Uiso 0.50 1 calc PR . -4
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'
Ge Ge 0.1547 1.8001 '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
_geom_angle_site_symmetry_3
C10 Li1 C10 133.4(15) . 2_656
C10 Li1 Ge1 103.1(5) . .
C10 Li1 Ge1 118.9(7) 2_656 .
C10 Li1 Ge1 118.9(7) . 5_666
C10 Li1 Ge1 103.0(5) 2_656 5_666
Ge1 Li1 Ge1 52.3(6) . 5_666
C10 Li1 C15A 105.6(8) . 2_656
C10 Li1 C15A 53.0(4) 2_656 2_656
Ge1 Li1 C15A 97.0(4) . 2_656
Ge1 Li1 C15A 129.4(7) 5_666 2_656
C10 Li1 C5 146.2(11) . 2_656
C10 Li1 C5 30.22(18) 2_656 2_656
Ge1 Li1 C5 109.1(9) . 2_656
Ge1 Li1 C5 75.4(5) 5_666 2_656
C15A Li1 C5 80.8(4) 2_656 2_656
C10 Li1 C5 30.22(18) . .
C10 Li1 C5 146.2(11) 2_656 .
Ge1 Li1 C5 75.4(5) . .
Ge1 Li1 C5 109.1(9) 5_666 .
C15A Li1 C5 97.1(4) 2_656 .
C5 Li1 C5 175.2(14) 2_656 .
C1 Ge1 Ge1 100.67(17) . 5_666
C1 Ge1 Li1 94.68(9) . .
Ge1 Ge1 Li1 63.8(3) 5_666 .
C1 Ge1 Li1 94.68(9) . 5_666
Ge1 Ge1 Li1 63.8(3) 5_666 5_666
Li1 Ge1 Li1 127.7(6) . 5_666
C1 Ge1 H1 127(3) . .
Ge1 Ge1 H1 133(3) 5_666 .
Li1 Ge1 H1 107.3(11) . .
Li1 Ge1 H1 107.3(11) 5_666 .
C2 C1 C2 115.6(5) 6_565 .
C2 C1 Ge1 122.1(3) 6_565 .
C2 C1 Ge1 122.1(3) . .
C3 C2 C1 121.6(4) . .
C3 C2 C5 115.2(4) . .
C1 C2 C5 123.0(4) . .
C4 C3 C2 121.0(5) . .
C4 C3 H3 119.5 . .
C2 C3 H3 119.5 . .
C3 C4 C3 118.8(6) . 6_565
C3 C4 H4AA 120.6 . .
C3 C4 H4AA 120.6 6_565 .
C10 C5 C6 120.4(6) . .
C10 C5 C2 120.4(6) . .
C6 C5 C2 118.9(5) . .
C10 C5 Li1 65.9(6) . .
C6 C5 Li1 103.7(4) . .
C2 C5 Li1 105.4(7) . .
C7 C6 C5 120.1(7) . .
C7 C6 C11 118.1(7) . .
C5 C6 C11 121.6(5) . .
C8 C7 C6 120.3(9) . .
C8 C7 H7 119.9 . .
C6 C7 H7 119.9 . .
C7 C8 C9 120.1(7) . .
C7 C8 H8 120.0 . .
C9 C8 H8 120.0 . .
C8 C9 C10 121.1(8) . .
C8 C9 H9 119.4 . .
C10 C9 H9 119.4 . .
C5 C10 C9 117.9(8) . .
C5 C10 C14 121.7(6) . .
C9 C10 C14 120.3(7) . .
C5 C10 Li1 83.9(6) . .
C9 C10 Li1 93.5(8) . .
C14 C10 Li1 94.4(5) . .
C6 C11 C12 112.7(5) . .
C6 C11 C13 111.4(5) . .
C12 C11 C13 110.0(5) . .
C6 C11 H11 107.5 . .
C12 C11 H11 107.5 . .
C13 C11 H11 107.5 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C10 C14 C16 110.6(6) . .
C10 C14 C15B 131.6(8) . .
C16 C14 C15B 101.7(7) . .
C10 C14 C15A 100.4(7) . .
C16 C14 C15A 113.7(6) . .
C15B C14 C15A 31.9(6) . .
C10 C14 H14B 103.8 . .
C16 C14 H14B 103.0 . .
C15B C14 H14B 102.8 . .
C15A C14 H14B 124.5 . .
C10 C14 H14A 111.0 . .
C16 C14 H14A 110.1 . .
C15B C14 H14A 89.4 . .
C15A C14 H14A 110.7 . .
H14B C14 H14A 14.0 . .
C14 C15A H15A 109.5 . .
C14 C15A H15B 109.5 . .
H15A C15A H15B 109.5 . .
C14 C15A H15C 109.5 . .
H15A C15A H15C 109.5 . .
H15B C15A H15C 109.5 . .
C14 C15B H15D 109.5 . .
C14 C15B H15E 109.5 . .
H15D C15B H15E 109.5 . .
C14 C15B H15F 109.5 . .
H15D C15B H15F 109.5 . .
H15E C15B H15F 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O3 Li2 O2 88.2(14) . .
O3 Li2 O2 87.9(14) 6_565 .
O3 Li2 O1 104.5(9) . 6_565
O3 Li2 O1 113.6(10) 6_565 6_565
O2 Li2 O1 122.5(14) . 6_565
O3 Li2 O1 113.6(10) . .
O3 Li2 O1 104.4(9) 6_565 .
O2 Li2 O1 122.5(14) . .
C19 O1 C18 110.9 . .
C19 O1 Li2 112.3(14) . .
C18 O1 Li2 120.2(11) . .
C18 C17 H17A 109.5 . .
C18 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C18 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O1 C18 C17 107.2 . .
O1 C18 H18A 110.3 . .
C17 C18 H18A 110.3 . .
O1 C18 H18B 110.3 . .
C17 C18 H18B 110.3 . .
H18A C18 H18B 108.5 . .
O1 C19 C20 100.7 . .
O1 C19 H19A 111.6 . .
C20 C19 H19A 111.6 . .
O1 C19 H19B 111.6 . .
C20 C19 H19B 111.6 . .
H19A C19 H19B 109.4 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C24 O2 C21 106.9(10) . .
C24 O2 Li2 128(2) . .
C21 O2 Li2 125(2) . .
O2 C21 C22 105.9(11) . .
O2 C21 H21A 110.6 . .
C22 C21 H21A 110.6 . .
O2 C21 H21B 110.6 . .
C22 C21 H21B 110.6 . .
H21A C21 H21B 108.7 . .
C23 C22 C21 107.1(11) . .
C23 C22 H22A 110.3 . .
C21 C22 H22A 110.3 . .
C23 C22 H22B 110.3 . .
C21 C22 H22B 110.3 . .
H22A C22 H22B 108.5 . .
C22 C23 C24 106.5(12) . .
C22 C23 H23A 110.4 . .
C24 C23 H23A 110.4 . .
C22 C23 H23B 110.4 . .
C24 C23 H23B 110.4 . .
H23A C23 H23B 108.6 . .
O2 C24 C23 107.9(11) . .
O2 C24 H24A 110.1 . .
C23 C24 H24A 110.1 . .
O2 C24 H24B 110.1 . .
C23 C24 H24B 110.1 . .
H24A C24 H24B 108.4 . .
C28 O3 C25 108.1(9) . .
C28 O3 Li2 105.1(12) . .
C25 O3 Li2 145.6(13) . .
C26 C25 O3 105.6(10) . .
C26 C25 H25A 110.6 . .
O3 C25 H25A 110.6 . .
C26 C25 H25B 110.6 . .
O3 C25 H25B 110.6 . .
H25A C25 H25B 108.8 . .
C25 C26 C27 101.5(9) . .
C25 C26 H26A 111.5 . .
C27 C26 H26A 111.5 . .
C25 C26 H26B 111.5 . .
C27 C26 H26B 111.5 . .
H26A C26 H26B 109.3 . .
C28 C27 C26 104.7(8) . .
C28 C27 H27A 110.8 . .
C26 C27 H27A 110.8 . .
C28 C27 H27B 110.8 . .
C26 C27 H27B 110.8 . .
H27A C27 H27B 108.9 . .
O3 C28 C27 109.3(9) . .
O3 C28 Li2 121.0(11) . 5_567
C27 C28 Li2 128.1(10) . 5_567
O3 C28 H28A 109.8 . .
C27 C28 H28A 109.8 . .
O3 C28 H28B 109.8 . .
C27 C28 H28B 109.8 . .
H28A C28 H28B 108.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 C10 2.544(15) .
Li1 C10 2.544(15) 2_656
Li1 Ge1 2.72(3) .
Li1 Ge1 2.72(3) 5_666
Li1 C15A 2.765(17) 2_656
Li1 C5 2.771(5) 2_656
Li1 C5 2.771(5) .
Ge1 C1 2.043(6) .
Ge1 Ge1 2.3951(15) 5_666
Ge1 Li1 2.72(3) 5_666
Ge1 H1 1.58(9) .
C1 C2 1.415(6) 6_565
C1 C2 1.415(6) .
C2 C3 1.399(7) .
C2 C5 1.506(7) .
C3 C4 1.379(6) .
C3 H3 0.9500 .
C4 C3 1.379(6) 6_565
C4 H4AA 0.9500 .
C5 C10 1.403(8) .
C5 C6 1.416(9) .
C6 C7 1.406(8) .
C6 C11 1.511(9) .
C7 C8 1.366(15) .
C7 H7 0.9500 .
C8 C9 1.414(17) .
C8 H8 0.9500 .
C9 C10 1.419(11) .
C9 H9 0.9500 .
C10 C14 1.497(12) .
C11 C12 1.517(8) .
C11 C13 1.559(10) .
C11 H11 1.0000 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C14 C16 1.534(10) .
C14 C15B 1.591(15) .
C14 C15A 1.593(11) .
C14 H14B 0.9737 .
C14 H14A 0.9739 .
C15A H15A 0.9800 .
C15A H15B 0.9800 .
C15A H15C 0.9800 .
C15B H15D 0.9800 .
C15B H15E 0.9800 .
C15B H15F 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
Li2 C28 1.959(16) 5_567
Li2 C28 1.959(16) 2_557
Li2 O3 1.990(15) .
Li2 O3 1.990(15) 6_565
Li2 O2 2.01(3) .
Li2 O1 2.10(3) 6_565
Li2 O1 2.10(3) .
Li2 C28 2.67(2) .
Li2 C28 2.67(2) 6_565
O1 C19 1.3246 .
O1 C18 1.4932 .
C17 C18 1.6623 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.5309 .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
O2 C24 1.430(17) .
O2 C21 1.436(18) .
C21 C22 1.446(16) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.405(16) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.446(17) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
O3 C28 1.335(11) .
O3 C25 1.471(16) .
C25 C26 1.457(16) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.477(14) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.454(12) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 Li2 1.959(16) 5_567
C28 H28A 0.9900 .
C28 H28B 0.9900 .
