# Electronic Supplementary Material for Chemical COmmunications
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Andreas Schnepf'
_publ_contact_author_email       SCHNEPF@CHEMIE.UNI-KARLSRUHE.DE

_publ_section_title              
;
{Ge9[Si(SiMe3)3]3Cr(CO)5}- and
{Ge9[Si(SiMe3)3]3Cr(CO)3}-: The metalloid cluster compound
{Ge9[Si(SiMe3)3]3}- as a flexible ligand in coordination chemistry.
;
loop_
_publ_author_name
'Andreas Schnepf'
'Christian Schenk'

# Attachment 'CS109MON.CIF'

data_cs109mon
_database_code_depnum_ccdc_archive 'CCDC 718081'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C86 H218 Cr2 Ge18 Li2 O10 Si24'
_chemical_formula_weight         3511.26

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'
Cr Cr 0.3209 0.6236 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   17.492(4)
_cell_length_b                   20.471(4)
_cell_length_c                   23.186(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.39(3)
_cell_angle_gamma                90.00
_cell_volume                     8213(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    149(2)
_cell_measurement_reflns_used    54773
_cell_measurement_theta_min      1.35
_cell_measurement_theta_max      25.7

_exptl_crystal_description       rod
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3560
_exptl_absorpt_coefficient_mu    3.577
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.4781
_exptl_absorpt_correction_T_max  0.8631
_exptl_absorpt_process_details   
;
XPREP in SHELXTL 6.12 (BrukerAXS Inc., 2003)
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      149(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  'Stoe IPDS II'
_diffrn_measurement_method       'area detector'
_diffrn_detector_area_resol_mean 6.667
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            54773
_diffrn_reflns_av_R_equivalents  0.0925
_diffrn_reflns_av_sigmaI/netI    0.0970
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.33
_diffrn_reflns_theta_max         25.68
_reflns_number_total             15500
_reflns_number_gt                8388
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'WinXpose 1.6.8 (Stoe & Cie GmbH, 2004)'
_computing_cell_refinement       'X-Area 1.38 (Stoe & Cie GmbH, 2006)'
_computing_data_reduction        'X-Area 1.38 (Stoe & Cie GmbH, 2006)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0477P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15500
_refine_ls_number_parameters     627
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0483
_refine_ls_wR_factor_ref         0.1083
_refine_ls_wR_factor_gt          0.0941
_refine_ls_goodness_of_fit_ref   0.827
_refine_ls_restrained_S_all      0.827
_refine_ls_shift/su_max          0.001
_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
Cr1 Cr 0.50841(7) 0.38987(5) 0.63023(4) 0.0395(3) Uani 1 1 d . . .
Ge1 Ge 0.49822(5) 0.19435(4) 0.68241(3) 0.05161(19) Uani 1 1 d . . .
Ge2 Ge 0.63052(4) 0.31275(3) 0.61970(3) 0.04106(17) Uani 1 1 d . . .
Ge3 Ge 0.55853(4) 0.36258(3) 0.74271(3) 0.03799(16) Uani 1 1 d . . .
Ge4 Ge 0.65253(5) 0.41395(3) 0.68249(3) 0.04339(18) Uani 1 1 d . . .
Ge5 Ge 0.49431(5) 0.26745(3) 0.59358(3) 0.04242(18) Uani 1 1 d . . .
Ge6 Ge 0.43746(4) 0.30597(4) 0.69226(3) 0.04158(17) Uani 1 1 d . . .
Ge7 Ge 0.57791(5) 0.23998(3) 0.77168(3) 0.04145(17) Uani 1 1 d . . .
Ge8 Ge 0.63810(5) 0.19975(3) 0.67108(3) 0.04476(18) Uani 1 1 d . . .
Ge9 Ge 0.69329(4) 0.29720(4) 0.73484(3) 0.04482(18) Uani 1 1 d . . .
Si1 Si 0.43381(14) 0.09295(10) 0.68576(9) 0.0556(6) Uani 1 1 d . . .
Si2 Si 0.71419(12) 0.30035(10) 0.54657(8) 0.0470(5) Uani 1 1 d . . .
Si3 Si 0.54196(12) 0.41999(9) 0.83051(7) 0.0410(4) Uani 1 1 d . . .
Si10 Si 0.5285(3) 0.01096(14) 0.6885(2) 0.1176(14) Uani 1 1 d . . .
Si11 Si 0.3441(2) 0.08205(19) 0.60182(13) 0.1018(11) Uani 1 1 d . . .
Si12 Si 0.37193(16) 0.09235(12) 0.77010(11) 0.0685(7) Uani 1 1 d . . .
Si20 Si 0.84373(14) 0.31195(13) 0.59039(11) 0.0667(6) Uani 1 1 d . . .
Si21 Si 0.68457(18) 0.38043(12) 0.47374(10) 0.0716(7) Uani 1 1 d . . .
Si22 Si 0.69772(14) 0.19607(11) 0.50310(10) 0.0599(6) Uani 1 1 d . . .
Si30 Si 0.65262(16) 0.40521(13) 0.89910(11) 0.0730(7) Uani 1 1 d . . .
Si31 Si 0.52682(18) 0.53312(10) 0.81158(10) 0.0691(7) Uani 1 1 d . . .
Si32 Si 0.43255(14) 0.37729(11) 0.86602(9) 0.0552(5) Uani 1 1 d . . .
O1 O 0.4562(4) 0.3968(3) 0.5016(2) 0.0670(16) Uani 1 1 d . . .
O2 O 0.3557(4) 0.4506(3) 0.6416(3) 0.0767(17) Uani 1 1 d . . .
O3 O 0.5510(3) 0.5301(2) 0.6143(2) 0.0592(14) Uani 1 1 d . . .
C1 C 0.4774(5) 0.3917(3) 0.5529(3) 0.0508(18) Uani 1 1 d . . .
C2 C 0.4154(5) 0.4253(4) 0.6399(3) 0.0521(18) Uani 1 1 d . . .
C3 C 0.5378(5) 0.4732(4) 0.6227(3) 0.0496(18) Uani 1 1 d . . .
C10C C 0.6186(7) 0.0303(6) 0.7455(6) 0.120(4) Uani 1 1 d . . .
H10I H 0.6566 -0.0048 0.7455 0.180 Uiso 1 1 calc R . .
H10J H 0.6030 0.0339 0.7843 0.180 Uiso 1 1 calc R . .
H10K H 0.6415 0.0717 0.7354 0.180 Uiso 1 1 calc R . .
C10B C 0.5588(9) 0.0064(7) 0.6143(6) 0.144(6) Uani 1 1 d . . .
H10L H 0.5983 -0.0275 0.6142 0.216 Uiso 1 1 calc R . .
H10M H 0.5800 0.0486 0.6047 0.216 Uiso 1 1 calc R . .
H10N H 0.5139 -0.0043 0.5854 0.216 Uiso 1 1 calc R . .
C10A C 0.4911(12) -0.0672(6) 0.7126(10) 0.222(11) Uani 1 1 d . . .
H10O H 0.5311 -0.1009 0.7136 0.333 Uiso 1 1 calc R . .
H10P H 0.4455 -0.0803 0.6854 0.333 Uiso 1 1 calc R . .
H10Q H 0.4769 -0.0619 0.7517 0.333 Uiso 1 1 calc R . .
C11A C 0.3818(8) 0.0977(6) 0.5338(4) 0.118(5) Uani 1 1 d . . .
H11A H 0.3405 0.0917 0.5009 0.177 Uiso 1 1 calc R . .
H11B H 0.4241 0.0671 0.5303 0.177 Uiso 1 1 calc R . .
H11C H 0.4012 0.1426 0.5339 0.177 Uiso 1 1 calc R . .
C11C C 0.3104(10) -0.0051(7) 0.5977(6) 0.153(7) Uani 1 1 d . . .
H11D H 0.2727 -0.0113 0.5625 0.230 Uiso 1 1 calc R . .
H11E H 0.2862 -0.0155 0.6322 0.230 Uiso 1 1 calc R . .
H11F H 0.3547 -0.0341 0.5963 0.230 Uiso 1 1 calc R . .
C11B C 0.2687(12) 0.1377(10) 0.6045(6) 0.217(11) Uani 1 1 d . . .
H11G H 0.2308 0.1334 0.5692 0.325 Uiso 1 1 calc R . .
H11H H 0.2895 0.1823 0.6070 0.325 Uiso 1 1 calc R . .
H11I H 0.2437 0.1287 0.6388 0.325 Uiso 1 1 calc R . .
C12C C 0.4465(6) 0.0936(5) 0.8362(4) 0.083(3) Uani 1 1 d . . .
H12A H 0.4210 0.0933 0.8712 0.125 Uiso 1 1 calc R . .
H12B H 0.4780 0.1332 0.8360 0.125 Uiso 1 1 calc R . .
H12C H 0.4796 0.0550 0.8363 0.125 Uiso 1 1 calc R . .
C12B C 0.3093(7) 0.1660(6) 0.7705(5) 0.099(3) Uani 1 1 d . . .
H12D H 0.2838 0.1654 0.8054 0.148 Uiso 1 1 calc R . .
H12E H 0.2702 0.1659 0.7356 0.148 Uiso 1 1 calc R . .
H12F H 0.3411 0.2054 0.7707 0.148 Uiso 1 1 calc R . .
C12A C 0.3117(8) 0.0166(6) 0.7695(5) 0.130(5) Uani 1 1 d . . .
H12G H 0.2857 0.0160 0.8042 0.195 Uiso 1 1 calc R . .
H12H H 0.3449 -0.0219 0.7696 0.195 Uiso 1 1 calc R . .
H12I H 0.2729 0.0162 0.7345 0.195 Uiso 1 1 calc R . .
C20C C 0.6469(7) 0.4595(5) 0.9634(4) 0.097(4) Uani 1 1 d . . .
H20A H 0.6023 0.4468 0.9821 0.146 Uiso 1 1 calc R . .
H20B H 0.6411 0.5050 0.9504 0.146 Uiso 1 1 calc R . .
H20C H 0.6943 0.4550 0.9914 0.146 Uiso 1 1 calc R . .
C20B C 0.6627(8) 0.3190(5) 0.9255(5) 0.123(5) Uani 1 1 d . . .
H20D H 0.6660 0.2898 0.8924 0.185 Uiso 1 1 calc R . .
H20E H 0.6177 0.3071 0.9439 0.185 Uiso 1 1 calc R . .
H20F H 0.7097 0.3148 0.9539 0.185 Uiso 1 1 calc R . .
C20A C 0.7407(6) 0.4289(8) 0.8662(5) 0.130(5) Uani 1 1 d . . .
H20G H 0.7452 0.4006 0.8328 0.195 Uiso 1 1 calc R . .
H20H H 0.7868 0.4239 0.8954 0.195 Uiso 1 1 calc R . .
H20I H 0.7361 0.4745 0.8533 0.195 Uiso 1 1 calc R . .
C21C C 0.5029(8) 0.5766(4) 0.8774(4) 0.098(4) Uani 1 1 d . . .
H21A H 0.5436 0.5685 0.9104 0.147 Uiso 1 1 calc R . .
H21B H 0.4534 0.5607 0.8868 0.147 Uiso 1 1 calc R . .
H21C H 0.4993 0.6237 0.8696 0.147 Uiso 1 1 calc R . .
C21B C 0.4494(7) 0.5500(5) 0.7500(4) 0.097(4) Uani 1 1 d . . .
H21D H 0.4003 0.5327 0.7590 0.145 Uiso 1 1 calc R . .
H21E H 0.4622 0.5291 0.7146 0.145 Uiso 1 1 calc R . .
H21F H 0.4448 0.5973 0.7437 0.145 Uiso 1 1 calc R . .
C21A C 0.6205(8) 0.5675(5) 0.7935(5) 0.113(4) Uani 1 1 d . . .
H21G H 0.6618 0.5596 0.8261 0.169 Uiso 1 1 calc R . .
H21H H 0.6148 0.6146 0.7867 0.169 Uiso 1 1 calc R . .
H21I H 0.6335 0.5463 0.7584 0.169 Uiso 1 1 calc R . .
C22C C 0.4367(6) 0.2863(4) 0.8712(4) 0.079(3) Uani 1 1 d . . .
H22A H 0.4836 0.2732 0.8971 0.118 Uiso 1 1 calc R . .
H22B H 0.4375 0.2677 0.8324 0.118 Uiso 1 1 calc R . .
H22C H 0.3912 0.2702 0.8870 0.118 Uiso 1 1 calc R . .
C22B C 0.3447(6) 0.4018(6) 0.8163(4) 0.090(3) Uani 1 1 d . . .
H22D H 0.3420 0.4496 0.8140 0.136 Uiso 1 1 calc R . .
H22E H 0.2989 0.3851 0.8313 0.136 Uiso 1 1 calc R . .
H22F H 0.3466 0.3837 0.7774 0.136 Uiso 1 1 calc R . .
C22A C 0.4296(7) 0.4110(5) 0.9413(4) 0.093(3) Uani 1 1 d . . .
H22G H 0.4767 0.3982 0.9671 0.139 Uiso 1 1 calc R . .
H22H H 0.3843 0.3937 0.9566 0.139 Uiso 1 1 calc R . .
H22I H 0.4264 0.4588 0.9395 0.139 Uiso 1 1 calc R . .
C30C C 0.8681(6) 0.2602(6) 0.6557(4) 0.094(3) Uani 1 1 d . . .
H30A H 0.8591 0.2142 0.6450 0.142 Uiso 1 1 calc R . .
H30B H 0.8355 0.2725 0.6850 0.142 Uiso 1 1 calc R . .
H30C H 0.9226 0.2664 0.6719 0.142 Uiso 1 1 calc R . .
C30B C 0.8619(7) 0.3987(6) 0.6128(5) 0.110(4) Uani 1 1 d . . .
H30D H 0.8493 0.4272 0.5788 0.165 Uiso 1 1 calc R . .
H30E H 0.9164 0.4042 0.6292 0.165 Uiso 1 1 calc R . .
H30F H 0.8294 0.4103 0.6424 0.165 Uiso 1 1 calc R . .
C30A C 0.9097(6) 0.2879(5) 0.5371(4) 0.086(3) Uani 1 1 d . . .
H30G H 0.9000 0.2422 0.5255 0.129 Uiso 1 1 calc R . .
H30H H 0.9635 0.2928 0.5554 0.129 Uiso 1 1 calc R . .
H30I H 0.9000 0.3160 0.5026 0.129 Uiso 1 1 calc R . .
C31C C 0.6581(7) 0.4595(4) 0.5067(4) 0.085(3) Uani 1 1 d . . .
H31A H 0.6136 0.4526 0.5273 0.127 Uiso 1 1 calc R . .
H31B H 0.6448 0.4920 0.4758 0.127 Uiso 1 1 calc R . .
H31C H 0.7020 0.4753 0.5343 0.127 Uiso 1 1 calc R . .
C31B C 0.6010(7) 0.3537(6) 0.4184(4) 0.106(4) Uani 1 1 d . . .
H31D H 0.6139 0.3125 0.4006 0.160 Uiso 1 1 calc R . .
H31E H 0.5903 0.3872 0.3881 0.160 Uiso 1 1 calc R . .
H31F H 0.5552 0.3474 0.4376 0.160 Uiso 1 1 calc R . .
C31A C 0.7698(7) 0.3958(6) 0.4351(5) 0.108(4) Uani 1 1 d . . .
H31G H 0.7842 0.3551 0.4171 0.161 Uiso 1 1 calc R . .
H31H H 0.8135 0.4112 0.4631 0.161 Uiso 1 1 calc R . .
H31I H 0.7564 0.4290 0.4049 0.161 Uiso 1 1 calc R . .
C32C C 0.7354(6) 0.1988(5) 0.4315(4) 0.082(3) Uani 1 1 d . . .
H32A H 0.7896 0.2124 0.4378 0.123 Uiso 1 1 calc R . .
H32B H 0.7049 0.2300 0.4055 0.123 Uiso 1 1 calc R . .
H32C H 0.7312 0.1553 0.4136 0.123 Uiso 1 1 calc R . .
C32B C 0.7532(6) 0.1327(4) 0.5481(4) 0.081(3) Uani 1 1 d . . .
H32D H 0.8076 0.1457 0.5561 0.121 Uiso 1 1 calc R . .
H32E H 0.7488 0.0911 0.5270 0.121 Uiso 1 1 calc R . .
H32F H 0.7325 0.1278 0.5849 0.121 Uiso 1 1 calc R . .
C32A C 0.5953(5) 0.1715(5) 0.4888(5) 0.090(3) Uani 1 1 d . . .
H32G H 0.5656 0.2047 0.4646 0.136 Uiso 1 1 calc R . .
H32H H 0.5750 0.1671 0.5258 0.136 Uiso 1 1 calc R . .
H32I H 0.5908 0.1295 0.4682 0.136 Uiso 1 1 calc R . .
C100 C 0.5823(11) 0.6980(6) 0.6727(5) 0.151(7) Uani 1 1 d . . .
H10A H 0.6296 0.6889 0.7005 0.181 Uiso 1 1 calc R . .
H10B H 0.5392 0.6718 0.6838 0.181 Uiso 1 1 calc R . .
C101 C 0.5637(14) 0.7677(7) 0.6716(7) 0.185(9) Uani 1 1 d . . .
H10C H 0.5071 0.7743 0.6629 0.221 Uiso 1 1 calc R . .
H10D H 0.5827 0.7880 0.7097 0.221 Uiso 1 1 calc R . .
C102 C 0.6009(11) 0.7961(7) 0.6270(8) 0.162(8) Uani 1 1 d . . .
H10E H 0.6506 0.8164 0.6440 0.194 Uiso 1 1 calc R . .
H10F H 0.5677 0.8302 0.6058 0.194 Uiso 1 1 calc R . .
C103 C 0.6142(8) 0.7432(5) 0.5878(6) 0.119(5) Uani 1 1 d . . .
H10G H 0.5820 0.7494 0.5494 0.143 Uiso 1 1 calc R . .
H10H H 0.6692 0.7423 0.5821 0.143 Uiso 1 1 calc R . .
C200 C 0.7443(15) 0.6235(11) 0.5215(10) 0.252(14) Uani 1 1 d D . .
H20J H 0.7273 0.5951 0.4875 0.302 Uiso 1 1 calc R . .
H20K H 0.7305 0.6691 0.5103 0.302 Uiso 1 1 calc R . .
C201 C 0.8289(14) 0.618(3) 0.5381(13) 0.61(3) Uani 1 1 d D . .
H20L H 0.8493 0.5805 0.5182 0.735 Uiso 1 1 calc R . .
H20M H 0.8549 0.6584 0.5277 0.735 Uiso 1 1 calc R . .
C202 C 0.8407(9) 0.6085(10) 0.6003(10) 0.244(16) Uani 1 1 d D . .
H20N H 0.8673 0.6469 0.6200 0.293 Uiso 1 1 calc R . .
H20O H 0.8731 0.5694 0.6106 0.293 Uiso 1 1 calc R . .
C203 C 0.7652(12) 0.6000(10) 0.6189(8) 0.281(18) Uani 1 1 d D . .
H20P H 0.7638 0.5572 0.6386 0.337 Uiso 1 1 calc R . .
H20Q H 0.7579 0.6344 0.6477 0.337 Uiso 1 1 calc R . .
O100 O 0.5940(5) 0.6837(3) 0.6138(3) 0.111(3) Uani 1 1 d . . .
O200 O 0.7038(6) 0.6031(5) 0.5723(5) 0.153(4) Uani 1 1 d . . .
Li1 Li 0.5963(10) 0.5999(7) 0.5766(6) 0.075(4) Uani 1 1 d . . .
C300 C 0.901(2) 0.7508(17) 0.2565(15) 0.164(13) Uiso 0.50 1 d PD A 1
H30J H 0.9563 0.7589 0.2692 0.247 Uiso 0.50 1 calc PR A 1
H30K H 0.8734 0.7925 0.2524 0.247 Uiso 0.50 1 calc PR A 1
H30L H 0.8945 0.7281 0.2189 0.247 Uiso 0.50 1 calc PR A 1
C302 C 0.814(3) 0.678(3) 0.328(2) 0.25(3) Uiso 0.50 1 d PD A 1
H30M H 0.7807 0.6523 0.2983 0.301 Uiso 0.50 1 calc PR A 1
H30N H 0.7805 0.7128 0.3416 0.301 Uiso 0.50 1 calc PR A 1
C304 C 0.785(5) 0.682(4) 0.406(4) 0.43(5) Uiso 0.50 1 d PD A 1
H30O H 0.7915 0.6703 0.4476 0.641 Uiso 0.50 1 calc PR A 1
H30P H 0.7316 0.6751 0.3885 0.641 Uiso 0.50 1 calc PR A 1
H30Q H 0.7997 0.7276 0.4019 0.641 Uiso 0.50 1 calc PR A 1
C310 C 0.859(3) 0.716(2) 0.2358(13) 0.196(17) Uiso 0.50 1 d PD A 2
H31J H 0.9075 0.7317 0.2241 0.294 Uiso 0.50 1 calc PR A 2
H31K H 0.8178 0.7477 0.2235 0.294 Uiso 0.50 1 calc PR A 2
H31L H 0.8454 0.6738 0.2174 0.294 Uiso 0.50 1 calc PR A 2
C312 C 0.854(8) 0.701(3) 0.358(3) 0.52(9) Uiso 0.50 1 d PD A 2
H31M H 0.8084 0.7288 0.3628 0.621 Uiso 0.50 1 calc PR A 2
H31N H 0.8982 0.7183 0.3852 0.621 Uiso 0.50 1 calc PR A 2
C314 C 0.882(4) 0.580(3) 0.409(3) 0.36(4) Uiso 0.50 1 d PD A 2
H31O H 0.8444 0.5473 0.4183 0.542 Uiso 0.50 1 calc PR A 2
H31P H 0.9114 0.5962 0.4457 0.542 Uiso 0.50 1 calc PR A 2
H31Q H 0.9174 0.5598 0.3855 0.542 Uiso 0.50 1 calc PR A 2
C301 C 0.869(2) 0.7085(16) 0.3017(16) 0.286(14) Uiso 1 1 d D . .
H30R H 0.9012 0.6693 0.2976 0.343 Uiso 1 1 calc R A 1
H30S H 0.8966 0.7305 0.3368 0.343 Uiso 1 1 calc R A 1
C303 C 0.839(4) 0.638(3) 0.375(2) 0.48(3) Uiso 1 1 d D . .
H30T H 0.8943 0.6413 0.3905 0.573 Uiso 1 1 calc R A 1
H30U H 0.8216 0.5918 0.3700 0.573 Uiso 1 1 calc R A 1

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Cr1 0.0521(7) 0.0353(5) 0.0329(5) 0.0020(4) 0.0124(5) 0.0060(5)
Ge1 0.0649(5) 0.0423(4) 0.0486(4) -0.0022(3) 0.0114(4) -0.0036(4)
Ge2 0.0516(4) 0.0375(4) 0.0371(4) -0.0008(3) 0.0167(3) 0.0045(3)
Ge3 0.0496(4) 0.0349(3) 0.0312(3) -0.0029(3) 0.0119(3) 0.0010(3)
Ge4 0.0535(5) 0.0380(4) 0.0412(4) -0.0019(3) 0.0155(3) -0.0026(3)
Ge5 0.0551(5) 0.0393(4) 0.0334(3) -0.0034(3) 0.0085(3) 0.0027(3)
Ge6 0.0459(4) 0.0414(4) 0.0389(4) -0.0016(3) 0.0114(3) 0.0011(3)
Ge7 0.0554(5) 0.0374(4) 0.0324(3) 0.0013(3) 0.0094(3) 0.0013(3)
Ge8 0.0568(5) 0.0361(4) 0.0440(4) -0.0008(3) 0.0158(3) 0.0075(4)
Ge9 0.0457(4) 0.0452(4) 0.0439(4) -0.0004(3) 0.0076(3) 0.0016(3)
Si1 0.0741(16) 0.0457(11) 0.0487(12) -0.0086(9) 0.0145(11) -0.0178(11)
Si2 0.0557(12) 0.0466(10) 0.0434(10) -0.0013(9) 0.0234(9) 0.0080(10)
Si3 0.0524(12) 0.0397(10) 0.0329(9) -0.0060(7) 0.0126(8) -0.0004(9)
Si10 0.155(4) 0.0480(15) 0.169(4) 0.0072(18) 0.089(3) 0.0142(18)
Si11 0.113(3) 0.123(3) 0.0663(17) -0.0175(17) 0.0036(17) -0.044(2)
Si12 0.0792(18) 0.0723(15) 0.0584(13) -0.0057(12) 0.0243(12) -0.0216(13)
Si20 0.0561(14) 0.0818(16) 0.0663(14) -0.0143(13) 0.0229(11) 0.0023(13)
Si21 0.104(2) 0.0648(15) 0.0552(13) 0.0157(11) 0.0425(14) 0.0246(14)
Si22 0.0690(15) 0.0571(12) 0.0580(12) -0.0142(11) 0.0244(11) 0.0106(12)
Si30 0.0729(17) 0.0838(17) 0.0581(14) -0.0232(13) -0.0046(12) 0.0064(14)
Si31 0.117(2) 0.0414(11) 0.0531(13) -0.0066(10) 0.0266(14) 0.0028(13)
Si32 0.0638(15) 0.0548(12) 0.0529(12) -0.0063(10) 0.0278(11) -0.0025(11)
O1 0.105(5) 0.057(3) 0.036(3) 0.003(2) -0.002(3) 0.007(3)
O2 0.064(4) 0.075(4) 0.095(5) 0.015(3) 0.024(3) 0.024(3)
O3 0.082(4) 0.040(3) 0.058(3) 0.011(2) 0.019(3) 0.004(3)
C1 0.066(5) 0.035(3) 0.053(4) -0.002(3) 0.013(4) 0.005(3)
C2 0.062(5) 0.052(4) 0.043(4) 0.006(3) 0.013(4) -0.001(4)
C3 0.066(5) 0.051(4) 0.034(4) 0.004(3) 0.016(3) 0.012(4)
C10C 0.100(9) 0.105(9) 0.147(11) 0.035(8) -0.009(8) 0.028(7)
C10B 0.150(13) 0.130(11) 0.169(13) -0.057(10) 0.081(11) 0.017(10)
C10A 0.24(2) 0.056(8) 0.39(3) 0.026(12) 0.12(2) 0.018(10)
C11A 0.172(13) 0.120(10) 0.061(6) -0.010(6) 0.016(7) -0.047(9)
C11C 0.216(17) 0.140(12) 0.096(9) -0.010(8) -0.003(10) -0.105(12)
C11B 0.24(2) 0.29(2) 0.095(10) -0.076(13) -0.073(12) 0.083(19)
C12C 0.100(8) 0.095(7) 0.060(5) 0.002(5) 0.028(5) -0.015(6)
C12B 0.099(8) 0.122(9) 0.082(7) -0.007(6) 0.033(6) 0.027(7)
C12A 0.173(13) 0.126(10) 0.107(9) -0.035(8) 0.079(9) -0.089(10)
C20C 0.125(10) 0.091(7) 0.067(6) -0.033(5) -0.014(6) 0.018(7)
C20B 0.166(12) 0.087(7) 0.093(8) -0.027(6) -0.065(8) 0.049(8)
C20A 0.064(7) 0.222(16) 0.101(9) -0.030(10) 0.004(6) -0.032(9)
C21C 0.177(12) 0.058(5) 0.065(6) -0.009(5) 0.034(7) 0.030(6)
C21B 0.159(11) 0.062(6) 0.069(6) 0.006(5) 0.020(6) 0.035(6)
C21A 0.156(12) 0.070(6) 0.126(9) -0.017(6) 0.064(9) -0.042(7)
C22C 0.094(7) 0.058(5) 0.097(7) -0.005(5) 0.055(6) -0.016(5)
C22B 0.067(6) 0.131(9) 0.080(6) -0.002(6) 0.034(5) 0.011(6)
C22A 0.124(9) 0.092(7) 0.079(6) -0.031(5) 0.072(6) -0.028(6)
C30C 0.060(6) 0.146(10) 0.077(6) 0.006(7) 0.007(5) 0.018(6)
C30B 0.086(8) 0.117(9) 0.134(10) -0.049(8) 0.035(7) -0.018(7)
C30A 0.067(6) 0.101(8) 0.097(7) -0.014(6) 0.033(5) -0.004(5)
C31C 0.134(9) 0.048(5) 0.083(6) 0.019(4) 0.054(6) 0.019(5)
C31B 0.136(10) 0.121(9) 0.058(6) -0.003(6) 0.002(6) 0.070(8)
C31A 0.142(11) 0.105(8) 0.093(7) 0.032(6) 0.077(8) 0.026(8)
C32C 0.095(7) 0.084(6) 0.073(6) -0.020(5) 0.030(5) 0.015(6)
C32B 0.101(8) 0.063(5) 0.085(6) -0.016(5) 0.037(6) 0.015(5)
C32A 0.070(6) 0.104(8) 0.104(8) -0.055(6) 0.036(6) -0.013(6)
C100 0.31(2) 0.082(8) 0.057(6) -0.015(6) 0.006(9) 0.001(11)
C101 0.35(3) 0.088(10) 0.124(12) -0.036(9) 0.059(15) 0.000(14)
C102 0.216(18) 0.077(9) 0.164(15) 0.001(10) -0.068(14) -0.038(10)
C103 0.150(12) 0.066(7) 0.137(10) 0.031(7) 0.002(9) -0.054(7)
C200 0.32(3) 0.22(2) 0.27(3) -0.06(2) 0.20(3) -0.12(2)
C201 0.43(4) 1.04(9) 0.37(6) 0.11(7) 0.05(5) -0.513
C202 0.066(10) 0.23(2) 0.42(4) -0.22(3) -0.022(16) 0.012(12)
C203 0.26(3) 0.21(2) 0.29(3) -0.11(2) -0.21(3) 0.09(2)
O100 0.197(9) 0.063(4) 0.068(4) 0.001(3) 0.002(5) -0.053(5)
O200 0.130(8) 0.143(8) 0.179(10) -0.038(7) 0.000(8) -0.029(7)
Li1 0.096(12) 0.070(9) 0.056(8) 0.007(7) 0.001(8) -0.016(8)

_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
Cr1 C1 1.796(8) . ?
Cr1 C3 1.798(8) . ?
Cr1 C2 1.825(9) . ?
Cr1 Ge5 2.6462(13) . ?
Cr1 Ge6 2.6606(13) . ?
Cr1 Ge4 2.6785(16) . ?
Cr1 Ge3 2.6860(14) . ?
Cr1 Ge2 2.6957(14) . ?
Ge1 Si1 2.369(2) . ?
Ge1 Ge8 2.5011(13) . ?
Ge1 Ge7 2.5016(12) . ?
Ge1 Ge5 2.5387(11) . ?
Ge1 Ge6 2.5443(11) . ?
Ge2 Si2 2.409(2) . ?
Ge2 Ge4 2.5290(11) . ?
Ge2 Ge5 2.5461(12) . ?
Ge2 Ge8 2.5965(11) . ?
Ge2 Ge9 2.7529(12) . ?
Ge3 Si3 2.4045(19) . ?
Ge3 Ge4 2.5355(12) . ?
Ge3 Ge6 2.5443(12) . ?
Ge3 Ge7 2.6075(11) . ?
Ge3 Ge9 2.7398(11) . ?
Ge4 Ge9 2.7277(11) . ?
Ge5 Ge6 2.7402(11) . ?
Ge7 Ge9 2.5843(12) . ?
Ge7 Ge8 2.8185(12) . ?
Ge8 Ge9 2.5848(11) . ?
Si1 Si11 2.326(4) . ?
Si1 Si10 2.352(4) . ?
Si1 Si12 2.369(3) . ?
Si2 Si20 2.356(3) . ?
Si2 Si21 2.356(3) . ?
Si2 Si22 2.360(3) . ?
Si3 Si30 2.339(3) . ?
Si3 Si32 2.359(3) . ?
Si3 Si31 2.365(3) . ?
Si10 C10A 1.845(15) . ?
Si10 C10B 1.875(13) . ?
Si10 C10C 1.944(12) . ?
Si11 C11B 1.751(18) . ?
Si11 C11A 1.824(11) . ?
Si11 C11C 1.877(12) . ?
Si12 C12C 1.862(10) . ?
Si12 C12B 1.864(11) . ?
Si12 C12A 1.873(10) . ?
Si20 C30C 1.847(10) . ?
Si20 C30B 1.865(11) . ?
Si20 C30A 1.875(9) . ?
Si21 C31A 1.875(10) . ?
Si21 C31C 1.878(9) . ?
Si21 C31B 1.881(12) . ?
Si22 C32A 1.844(10) . ?
Si22 C32B 1.848(10) . ?
Si22 C32C 1.874(9) . ?
Si30 C20B 1.868(11) . ?
Si30 C20C 1.874(9) . ?
Si30 C20A 1.880(12) . ?
Si31 C21B 1.852(11) . ?
Si31 C21C 1.867(9) . ?
Si31 C21A 1.885(12) . ?
Si32 C22B 1.850(10) . ?
Si32 C22C 1.867(8) . ?
Si32 C22A 1.886(8) . ?
O1 C1 1.198(8) . ?
O1 Li1 1.910(15) 3_666 ?
O2 C2 1.172(9) . ?
O3 C3 1.207(8) . ?
O3 Li1 1.908(16) . ?
C100 O100 1.439(13) . ?
C100 C101 1.464(18) . ?
C101 C102 1.42(2) . ?
C102 C103 1.454(19) . ?
C103 O100 1.427(11) . ?
C200 C201 1.48(2) . ?
C200 O200 1.52(2) . ?
C201 C202 1.44(2) . ?
C202 C203 1.459(18) . ?
C203 O200 1.409(16) . ?
O100 Li1 1.922(17) . ?
O200 Li1 1.90(2) . ?
Li1 O1 1.910(15) 3_666 ?
C300 C301 1.53(3) . ?
C302 C301 1.37(4) . ?
C302 C303 1.39(4) . ?
C302 C304 1.94(9) . ?
C304 C303 1.54(3) . ?
C310 C301 1.52(3) . ?
C312 C301 1.38(4) . ?
C312 C303 1.39(4) . ?
C314 C303 1.56(3) . ?

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 Cr1 C3 86.1(3) . . ?
C1 Cr1 C2 88.3(3) . . ?
C3 Cr1 C2 84.7(3) . . ?
C1 Cr1 Ge5 72.5(2) . . ?
C3 Cr1 Ge5 151.9(2) . . ?
C2 Cr1 Ge5 111.9(2) . . ?
C1 Cr1 Ge6 117.1(2) . . ?
C3 Cr1 Ge6 145.9(2) . . ?
C2 Cr1 Ge6 72.3(2) . . ?
Ge5 Cr1 Ge6 62.18(3) . . ?
C1 Cr1 Ge4 125.1(3) . . ?
C3 Cr1 Ge4 66.8(2) . . ?
C2 Cr1 Ge4 131.9(2) . . ?
Ge5 Cr1 Ge4 110.92(4) . . ?
Ge6 Cr1 Ge4 110.90(4) . . ?
C1 Cr1 Ge3 169.0(2) . . ?
C3 Cr1 Ge3 103.6(2) . . ?
C2 Cr1 Ge3 97.7(2) . . ?
Ge5 Cr1 Ge3 96.71(4) . . ?
Ge6 Cr1 Ge3 56.83(3) . . ?
Ge4 Cr1 Ge3 56.41(4) . . ?
C1 Cr1 Ge2 92.9(2) . . ?
C3 Cr1 Ge2 107.8(2) . . ?
C2 Cr1 Ge2 167.5(2) . . ?
Ge5 Cr1 Ge2 56.92(3) . . ?
Ge6 Cr1 Ge2 96.27(4) . . ?
Ge4 Cr1 Ge2 56.14(3) . . ?
Ge3 Cr1 Ge2 79.37(4) . . ?
Si1 Ge1 Ge8 121.30(7) . . ?
Si1 Ge1 Ge7 120.69(6) . . ?
Ge8 Ge1 Ge7 68.58(4) . . ?
Si1 Ge1 Ge5 125.91(7) . . ?
Ge8 Ge1 Ge5 78.45(4) . . ?
Ge7 Ge1 Ge5 113.39(4) . . ?
Si1 Ge1 Ge6 125.26(7) . . ?
Ge8 Ge1 Ge6 113.43(4) . . ?
Ge7 Ge1 Ge6 77.30(3) . . ?
Ge5 Ge1 Ge6 65.24(3) . . ?
Si2 Ge2 Ge4 115.74(6) . . ?
Si2 Ge2 Ge5 115.96(6) . . ?
Ge4 Ge2 Ge5 119.59(4) . . ?
Si2 Ge2 Ge8 103.50(6) . . ?
Ge4 Ge2 Ge8 118.19(4) . . ?
Ge5 Ge2 Ge8 76.59(4) . . ?
Si2 Ge2 Cr1 134.12(6) . . ?
Ge4 Ge2 Cr1 61.59(4) . . ?
Ge5 Ge2 Cr1 60.56(4) . . ?
Ge8 Ge2 Cr1 117.92(4) . . ?
Si2 Ge2 Ge9 118.23(6) . . ?
Ge4 Ge2 Ge9 62.01(3) . . ?
Ge5 Ge2 Ge9 114.55(4) . . ?
Ge8 Ge2 Ge9 57.70(3) . . ?
Cr1 Ge2 Ge9 100.89(4) . . ?
Si3 Ge3 Ge4 115.57(6) . . ?
Si3 Ge3 Ge6 114.63(6) . . ?
Ge4 Ge3 Ge6 119.92(4) . . ?
Si3 Ge3 Ge7 106.24(5) . . ?
Ge4 Ge3 Ge7 118.08(4) . . ?
Ge6 Ge3 Ge7 75.42(3) . . ?
Si3 Ge3 Cr1 131.13(6) . . ?
Ge4 Ge3 Cr1 61.64(4) . . ?
Ge6 Ge3 Cr1 61.08(4) . . ?
Ge7 Ge3 Cr1 117.52(4) . . ?
Si3 Ge3 Ge9 120.42(6) . . ?
Ge4 Ge3 Ge9 62.13(3) . . ?
Ge6 Ge3 Ge9 114.42(4) . . ?
Ge7 Ge3 Ge9 57.74(3) . . ?
Cr1 Ge3 Ge9 101.48(4) . . ?
Ge2 Ge4 Ge3 85.46(3) . . ?
Ge2 Ge4 Cr1 62.27(3) . . ?
Ge3 Ge4 Cr1 61.94(4) . . ?
Ge2 Ge4 Ge9 63.03(3) . . ?
Ge3 Ge4 Ge9 62.61(3) . . ?
Cr1 Ge4 Ge9 101.99(4) . . ?
Ge1 Ge5 Ge2 96.21(4) . . ?
Ge1 Ge5 Cr1 107.91(4) . . ?
Ge2 Ge5 Cr1 62.52(3) . . ?
Ge1 Ge5 Ge6 57.48(3) . . ?
Ge2 Ge5 Ge6 97.91(4) . . ?
Cr1 Ge5 Ge6 59.17(3) . . ?
Ge3 Ge6 Ge1 96.88(4) . . ?
Ge3 Ge6 Cr1 62.09(4) . . ?
Ge1 Ge6 Cr1 107.30(4) . . ?
Ge3 Ge6 Ge5 97.81(4) . . ?
Ge1 Ge6 Ge5 57.28(3) . . ?
Cr1 Ge6 Ge5 58.65(3) . . ?
Ge1 Ge7 Ge9 105.28(4) . . ?
Ge1 Ge7 Ge3 96.34(3) . . ?
Ge9 Ge7 Ge3 63.70(3) . . ?
Ge1 Ge7 Ge8 55.70(3) . . ?
Ge9 Ge7 Ge8 56.97(3) . . ?
Ge3 Ge7 Ge8 96.79(3) . . ?
Ge1 Ge8 Ge9 105.28(4) . . ?
Ge1 Ge8 Ge2 95.88(4) . . ?
Ge9 Ge8 Ge2 64.19(3) . . ?
Ge1 Ge8 Ge7 55.72(4) . . ?
Ge9 Ge8 Ge7 56.95(3) . . ?
Ge2 Ge8 Ge7 96.85(3) . . ?
Ge7 Ge9 Ge8 66.09(3) . . ?
Ge7 Ge9 Ge4 112.22(4) . . ?
Ge8 Ge9 Ge4 111.72(4) . . ?
Ge7 Ge9 Ge3 58.56(3) . . ?
Ge8 Ge9 Ge3 99.32(4) . . ?
Ge4 Ge9 Ge3 55.26(3) . . ?
Ge7 Ge9 Ge2 98.79(4) . . ?
Ge8 Ge9 Ge2 58.11(3) . . ?
Ge4 Ge9 Ge2 54.96(3) . . ?
Ge3 Ge9 Ge2 77.46(4) . . ?
Si11 Si1 Si10 109.93(18) . . ?
Si11 Si1 Ge1 108.83(13) . . ?
Si10 Si1 Ge1 106.85(14) . . ?
Si11 Si1 Si12 110.88(15) . . ?
Si10 Si1 Si12 112.23(15) . . ?
Ge1 Si1 Si12 107.96(10) . . ?
Si20 Si2 Si21 109.63(13) . . ?
Si20 Si2 Si22 108.97(12) . . ?
Si21 Si2 Si22 108.84(12) . . ?
Si20 Si2 Ge2 109.30(10) . . ?
Si21 Si2 Ge2 109.78(10) . . ?
Si22 Si2 Ge2 110.30(10) . . ?
Si30 Si3 Si32 110.36(12) . . ?
Si30 Si3 Si31 108.18(12) . . ?
Si32 Si3 Si31 110.68(12) . . ?
Si30 Si3 Ge3 108.81(10) . . ?
Si32 Si3 Ge3 108.57(9) . . ?
Si31 Si3 Ge3 110.21(9) . . ?
C10A Si10 C10B 113.3(8) . . ?
C10A Si10 C10C 105.0(9) . . ?
C10B Si10 C10C 108.9(7) . . ?
C10A Si10 Si1 110.4(6) . . ?
C10B Si10 Si1 107.6(5) . . ?
C10C Si10 Si1 111.7(4) . . ?
C11B Si11 C11A 106.6(8) . . ?
C11B Si11 C11C 112.9(10) . . ?
C11A Si11 C11C 105.9(6) . . ?
C11B Si11 Si1 109.1(4) . . ?
C11A Si11 Si1 114.9(4) . . ?
C11C Si11 Si1 107.6(5) . . ?
C12C Si12 C12B 109.0(5) . . ?
C12C Si12 C12A 110.1(6) . . ?
C12B Si12 C12A 109.8(6) . . ?
C12C Si12 Si1 109.3(3) . . ?
C12B Si12 Si1 109.8(4) . . ?
C12A Si12 Si1 108.8(4) . . ?
C30C Si20 C30B 107.9(6) . . ?
C30C Si20 C30A 107.4(5) . . ?
C30B Si20 C30A 109.8(5) . . ?
C30C Si20 Si2 112.8(4) . . ?
C30B Si20 Si2 109.3(4) . . ?
C30A Si20 Si2 109.6(3) . . ?
C31A Si21 C31C 108.1(5) . . ?
C31A Si21 C31B 108.4(5) . . ?
C31C Si21 C31B 108.4(5) . . ?
C31A Si21 Si2 110.6(4) . . ?
C31C Si21 Si2 110.5(3) . . ?
C31B Si21 Si2 110.7(4) . . ?
C32A Si22 C32B 109.1(5) . . ?
C32A Si22 C32C 107.8(5) . . ?
C32B Si22 C32C 107.3(4) . . ?
C32A Si22 Si2 112.3(3) . . ?
C32B Si22 Si2 111.9(3) . . ?
C32C Si22 Si2 108.4(3) . . ?
C20B Si30 C20C 108.3(5) . . ?
C20B Si30 C20A 109.4(7) . . ?
C20C Si30 C20A 108.2(6) . . ?
C20B Si30 Si3 112.0(4) . . ?
C20C Si30 Si3 109.2(4) . . ?
C20A Si30 Si3 109.7(4) . . ?
C21B Si31 C21C 108.4(5) . . ?
C21B Si31 C21A 108.7(6) . . ?
C21C Si31 C21A 108.0(5) . . ?
C21B Si31 Si3 112.1(3) . . ?
C21C Si31 Si3 110.4(3) . . ?
C21A Si31 Si3 109.3(4) . . ?
C22B Si32 C22C 109.4(5) . . ?
C22B Si32 C22A 110.2(5) . . ?
C22C Si32 C22A 108.1(4) . . ?
C22B Si32 Si3 109.0(3) . . ?
C22C Si32 Si3 111.5(3) . . ?
C22A Si32 Si3 108.7(3) . . ?
C1 O1 Li1 169.0(8) . 3_666 ?
C3 O3 Li1 153.9(7) . . ?
O1 C1 Cr1 176.2(6) . . ?
O2 C2 Cr1 174.2(7) . . ?
O3 C3 Cr1 173.8(7) . . ?
O100 C100 C101 104.1(10) . . ?
C102 C101 C100 106.7(15) . . ?
C101 C102 C103 106.3(11) . . ?
O100 C103 C102 107.5(12) . . ?
C201 C200 O200 109.8(14) . . ?
C202 C201 C200 105.3(12) . . ?
C201 C202 C203 107.9(9) . . ?
O200 C203 C202 112.9(14) . . ?
C103 O100 C100 107.8(9) . . ?
C103 O100 Li1 123.3(9) . . ?
C100 O100 Li1 128.5(8) . . ?
C203 O200 C200 102.6(18) . . ?
C203 O200 Li1 127.4(14) . . ?
C200 O200 Li1 128.9(13) . . ?
O200 Li1 O3 122.1(9) . . ?
O200 Li1 O1 107.0(9) . 3_666 ?
O3 Li1 O1 106.6(8) . 3_666 ?
O200 Li1 O100 94.5(8) . . ?
O3 Li1 O100 115.2(9) . . ?
O1 Li1 O100 110.9(8) 3_666 . ?
C301 C302 C303 117(5) . . ?
C301 C302 C304 134(5) . . ?
C303 C302 C304 52(3) . . ?
C303 C304 C302 45(3) . . ?
C301 C312 C303 116(5) . . ?
C302 C301 C312 44(5) . . ?
C302 C301 C310 121(4) . . ?
C312 C301 C310 162(8) . . ?
C302 C301 C300 157(4) . . ?
C312 C301 C300 149(4) . . ?
C310 C301 C300 42(2) . . ?
C302 C303 C312 43(5) . . ?
C302 C303 C304 83(5) . . ?
C312 C303 C304 75(5) . . ?
C302 C303 C314 158(7) . . ?
C312 C303 C314 139(10) . . ?
C304 C303 C314 119(6) . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.68
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.237
_refine_diff_density_min         -0.928
_refine_diff_density_rms         0.100


# Attachment 'CS93MON.CIF'

data_cs93mon
_database_code_depnum_ccdc_archive 'CCDC 718082'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H113 Cr Ge9 Li O9 Si12'
_chemical_formula_weight         1883.71

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 0.1011 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -0.0550 2.2114 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   14.419(3)
_cell_length_b                   41.714(8)
_cell_length_c                   14.636(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.39(3)
_cell_angle_gamma                90.00
_cell_volume                     8686(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    149(2)
_cell_measurement_reflns_used    9937
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      32.56

_exptl_crystal_description       rod
_exptl_crystal_colour            dark-red
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3824
_exptl_absorpt_coefficient_mu    3.391
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.2392
_exptl_absorpt_correction_T_max  0.9674
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker AXS Inc., 2005)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.80000
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         synchrotron
_diffrn_radiation_monochromator  silicon
_diffrn_measurement_device_type  'Bruker SMART Apex'
_diffrn_measurement_method       'CCD area detector'
_diffrn_detector_area_resol_mean 8.333
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31969
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -56
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.70
_diffrn_reflns_theta_max         32.74
_reflns_number_total             18525
_reflns_number_gt                15222
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART-NT 5.6 (Bruker AXS Inc., 2000)'
_computing_cell_refinement       'SMART-NT 5.6 (Bruker AXS Inc., 2000)'
_computing_data_reduction        'SAINT+ 6.0 (Bruker AXS Inc., 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1048P)^2^+2.3516P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         18525
_refine_ls_number_parameters     1002
_refine_ls_number_restraints     148
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0519
_refine_ls_wR_factor_ref         0.1603
_refine_ls_wR_factor_gt          0.1551
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.001
_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
Ge1 Ge 0.20100(4) 0.072986(10) 0.22269(4) 0.05480(13) Uani 1 1 d . A .
Ge2 Ge 0.25673(3) 0.124169(10) 0.01654(3) 0.04646(11) Uani 1 1 d . . .
Ge3 Ge 0.16206(3) 0.162431(8) 0.18073(3) 0.04299(11) Uani 1 1 d . B .
Ge4 Ge 0.08837(3) 0.137045(9) 0.02993(3) 0.04155(11) Uani 1 1 d . B .
Ge5 Ge 0.14576(3) 0.077205(9) 0.05080(3) 0.04456(11) Uani 1 1 d . . .
Ge6 Ge 0.06376(3) 0.109929(9) 0.18670(3) 0.04601(11) Uani 1 1 d . . .
Ge7 Ge 0.26200(4) 0.124974(9) 0.29334(3) 0.05116(13) Uani 1 1 d . . .
Ge8 Ge 0.34034(3) 0.091125(10) 0.15328(4) 0.05162(12) Uani 1 1 d . . .
Ge9 Ge 0.33377(3) 0.154567(10) 0.16119(3) 0.04772(12) Uani 1 1 d . . .
Cr1 Cr -0.06288(4) 0.139246(15) -0.08811(5) 0.04831(17) Uani 1 1 d . . .
Si1 Si 0.20536(8) 0.02235(2) 0.29444(8) 0.0453(2) Uani 1 1 d . . .
Si2 Si 0.34087(7) 0.11512(3) -0.11022(9) 0.0460(2) Uani 1 1 d . . .
Si3 Si 0.12757(8) 0.21263(2) 0.24609(8) 0.0443(2) Uani 1 1 d . . .
Si10 Si 0.3076(2) -0.00989(5) 0.2233(2) 0.0890(10) Uani 0.660(3) 1 d P A 1
Si11 Si 0.26215(18) 0.03025(6) 0.44986(16) 0.0703(7) Uani 0.660(3) 1 d P A 1
Si12 Si 0.05258(17) 0.00263(5) 0.2675(2) 0.0812(9) Uani 0.660(3) 1 d P A 1
Si13 Si 0.1929(3) -0.01774(8) 0.1836(3) 0.0617(12) Uani 0.340(3) 1 d P A 2
Si14 Si 0.3488(3) 0.01899(10) 0.3988(4) 0.0773(16) Uani 0.340(3) 1 d P A 2
Si15 Si 0.0823(4) 0.01784(12) 0.3855(5) 0.095(2) Uani 0.340(3) 1 d P A 2
Si20 Si 0.28188(9) 0.15010(4) -0.23163(12) 0.0677(4) Uani 1 1 d . . .
Si21 Si 0.49737(9) 0.13086(4) -0.05833(12) 0.0723(4) Uani 1 1 d . . .
Si22 Si 0.34017(10) 0.06139(3) -0.15740(10) 0.0591(3) Uani 1 1 d . . .
Si30 Si 0.1546(4) 0.24949(9) 0.1300(3) 0.0670(10) Uani 0.50 1 d PDU B 1
Si31 Si 0.2272(6) 0.22371(17) 0.3818(8) 0.071(2) Uani 0.50 1 d PDU B 1
Si32 Si -0.0336(5) 0.21699(15) 0.2671(6) 0.0595(16) Uani 0.50 1 d PDU B 1
Si33 Si 0.1916(3) 0.25014(12) 0.1546(5) 0.0877(18) Uani 0.50 1 d PDU B 2
Si34 Si 0.2059(7) 0.2160(2) 0.4006(8) 0.080(2) Uani 0.50 1 d PDU B 2
Si35 Si -0.0320(7) 0.2161(2) 0.2372(6) 0.078(3) Uani 0.50 1 d PDU B 2
O1 O -0.2268(3) 0.14143(13) -0.2429(3) 0.0992(16) Uani 1 1 d . . .
O2 O -0.0204(7) 0.2058(2) -0.1432(8) 0.093(3) Uani 0.556(11) 1 d PU C 1
O3 O 0.0559(8) 0.1056(3) -0.2108(6) 0.098(4) Uani 0.556(11) 1 d PU C 1
O4 O -0.1940(6) 0.1616(2) 0.0421(6) 0.075(2) Uani 0.556(11) 1 d PU C 1
O5 O -0.1143(7) 0.0732(2) -0.0204(9) 0.094(3) Uani 0.556(11) 1 d PU C 1
O2A O 0.0205(8) 0.1941(2) -0.1896(9) 0.082(4) Uani 0.444(11) 1 d PU C 2
O3A O 0.0099(7) 0.0885(2) -0.2034(7) 0.068(3) Uani 0.444(11) 1 d PU C 2
O4A O -0.1473(12) 0.1859(6) 0.0322(13) 0.168(10) Uani 0.444(11) 1 d PU C 2
O5A O -0.1568(10) 0.0872(4) 0.0069(9) 0.099(4) Uani 0.444(11) 1 d PU C 2
C1 C -0.1653(3) 0.14080(15) -0.1820(4) 0.0704(14) Uani 1 1 d . C .
C2 C -0.0338(9) 0.1806(4) -0.1206(12) 0.061(3) Uani 0.556(11) 1 d PU C 1
C4 C -0.1415(8) 0.1536(2) -0.0049(8) 0.058(3) Uani 0.556(11) 1 d PU C 1
C5 C -0.0944(9) 0.0978(3) -0.0434(11) 0.066(4) Uani 0.556(11) 1 d PU C 1
C3 C 0.0099(9) 0.1185(3) -0.1632(9) 0.058(3) Uani 0.556(11) 1 d PU C 1
C4A C -0.1153(11) 0.1689(5) -0.0125(13) 0.089(6) Uani 0.444(11) 1 d PU C 2
C3A C -0.0129(10) 0.1076(3) -0.1614(10) 0.044(3) Uani 0.444(11) 1 d PU C 2
C5A C -0.1218(12) 0.1094(6) -0.0282(16) 0.078(5) Uani 0.444(11) 1 d PU C 2
C2A C -0.0076(12) 0.1743(4) -0.1515(14) 0.061(5) Uani 0.444(11) 1 d PU C 2
C10B C 0.4306(14) 0.0072(5) 0.2398(12) 0.094(5) Uani 0.50 1 d P A 1
H10A H 0.4714 -0.0069 0.2104 0.141 Uiso 0.50 1 calc PR A 1
H10B H 0.4552 0.0089 0.3062 0.141 Uiso 0.50 1 calc PR A 1
H10C H 0.4292 0.0286 0.2115 0.141 Uiso 0.50 1 calc PR A 1
C10A C 0.3217(17) -0.0495(4) 0.287(2) 0.184(14) Uani 0.50 1 d P A 1
H10D H 0.3654 -0.0632 0.2606 0.277 Uiso 0.50 1 calc PR A 1
H10E H 0.2604 -0.0602 0.2821 0.277 Uiso 0.50 1 calc PR A 1
H10F H 0.3464 -0.0456 0.3530 0.277 Uiso 0.50 1 calc PR A 1
C10C C 0.257(3) -0.0084(8) 0.094(2) 0.139(13) Uani 0.50 1 d PU A 1
H10G H 0.2966 -0.0211 0.0591 0.209 Uiso 0.50 1 calc PR A 1
H10H H 0.2552 0.0139 0.0722 0.209 Uiso 0.50 1 calc PR A 1
H10I H 0.1930 -0.0172 0.0837 0.209 Uiso 0.50 1 calc PR A 1
C11C C 0.380(3) 0.0442(8) 0.463(3) 0.113(11) Uani 0.50 1 d PU A 1
H11A H 0.4037 0.0481 0.5283 0.169 Uiso 0.50 1 calc PR A 1
H11B H 0.3820 0.0642 0.4279 0.169 Uiso 0.50 1 calc PR A 1
H11C H 0.4191 0.0280 0.4388 0.169 Uiso 0.50 1 calc PR A 1
C11B C 0.247(2) -0.0057(5) 0.5170(13) 0.170(12) Uani 0.50 1 d P A 1
H11D H 0.2707 -0.0017 0.5826 0.256 Uiso 0.50 1 calc PR A 1
H11E H 0.2828 -0.0234 0.4954 0.256 Uiso 0.50 1 calc PR A 1
H11F H 0.1805 -0.0114 0.5089 0.256 Uiso 0.50 1 calc PR A 1
C11A C 0.1829(13) 0.0628(5) 0.4933(12) 0.124(7) Uani 0.50 1 d P A 1
H11G H 0.2049 0.0670 0.5592 0.187 Uiso 0.50 1 calc PR A 1
H11H H 0.1178 0.0551 0.4849 0.187 Uiso 0.50 1 calc PR A 1
H11I H 0.1860 0.0825 0.4579 0.187 Uiso 0.50 1 calc PR A 1
C12C C -0.019(2) 0.0255(7) 0.319(2) 0.151(13) Uani 0.50 1 d PU A 1
H12A H -0.0833 0.0166 0.3066 0.227 Uiso 0.50 1 calc PR A 1
H12B H -0.0198 0.0474 0.2949 0.227 Uiso 0.50 1 calc PR A 1
H12C H 0.0025 0.0257 0.3861 0.227 Uiso 0.50 1 calc PR A 1
C12B C 0.0033(10) 0.0041(4) 0.1378(12) 0.109(6) Uani 0.50 1 d P A 1
H12D H -0.0608 -0.0044 0.1272 0.163 Uiso 0.50 1 calc PR A 1
H12E H 0.0430 -0.0088 0.1037 0.163 Uiso 0.50 1 calc PR A 1
H12F H 0.0025 0.0264 0.1162 0.163 Uiso 0.50 1 calc PR A 1
C12A C 0.0583(13) -0.0398(4) 0.310(2) 0.180(14) Uani 0.50 1 d P A 1
H12G H -0.0048 -0.0493 0.2983 0.269 Uiso 0.50 1 calc PR A 1
H12H H 0.0823 -0.0402 0.3765 0.269 Uiso 0.50 1 calc PR A 1
H12I H 0.1003 -0.0522 0.2770 0.269 Uiso 0.50 1 calc PR A 1
C13C C 0.2814(17) -0.0122(7) 0.099(2) 0.097(8) Uani 0.50 1 d PU A 2
H13I H 0.2727 -0.0294 0.0528 0.145 Uiso 0.50 1 calc PR A 2
H13J H 0.3456 -0.0131 0.1336 0.145 Uiso 0.50 1 calc PR A 2
H13K H 0.2708 0.0086 0.0680 0.145 Uiso 0.50 1 calc PR A 2
C13B C 0.2382(14) -0.0560(2) 0.2435(10) 0.094(5) Uani 0.50 1 d P A 2
H13L H 0.2331 -0.0735 0.1981 0.142 Uiso 0.50 1 calc PR A 2
H13M H 0.2008 -0.0612 0.2917 0.142 Uiso 0.50 1 calc PR A 2
H13N H 0.3041 -0.0532 0.2717 0.142 Uiso 0.50 1 calc PR A 2
C13A C 0.060(2) -0.0157(4) 0.1239(15) 0.199(16) Uani 0.50 1 d P A 2
H13O H 0.0478 -0.0320 0.0753 0.298 Uiso 0.50 1 calc PR A 2
H13P H 0.0461 0.0056 0.0966 0.298 Uiso 0.50 1 calc PR A 2
H13Q H 0.0191 -0.0197 0.1703 0.298 Uiso 0.50 1 calc PR A 2
C14C C 0.374(3) 0.0542(6) 0.469(2) 0.093(9) Uani 0.50 1 d PU A 2
H14A H 0.4342 0.0514 0.5107 0.140 Uiso 0.50 1 calc PR A 2
H14B H 0.3239 0.0576 0.5062 0.140 Uiso 0.50 1 calc PR A 2
H14C H 0.3778 0.0729 0.4294 0.140 Uiso 0.50 1 calc PR A 2
C14B C 0.3275(16) -0.0152(4) 0.4906(15) 0.139(9) Uani 0.50 1 d P A 2
H14D H 0.3847 -0.0179 0.5363 0.208 Uiso 0.50 1 calc PR A 2
H14E H 0.3119 -0.0355 0.4580 0.208 Uiso 0.50 1 calc PR A 2
H14F H 0.2755 -0.0088 0.5222 0.208 Uiso 0.50 1 calc PR A 2
C14A C 0.438(2) 0.0087(8) 0.308(3) 0.22(2) Uani 0.50 1 d P A 2
H14G H 0.5022 0.0066 0.3420 0.328 Uiso 0.50 1 calc PR A 2
H14H H 0.4358 0.0260 0.2626 0.328 Uiso 0.50 1 calc PR A 2
H14I H 0.4189 -0.0115 0.2762 0.328 Uiso 0.50 1 calc PR A 2
C15C C -0.0250(10) 0.0318(6) 0.328(2) 0.117(10) Uani 0.50 1 d PU A 2
H15A H -0.0730 0.0290 0.3680 0.175 Uiso 0.50 1 calc PR A 2
H15B H -0.0431 0.0197 0.2707 0.175 Uiso 0.50 1 calc PR A 2
H15C H -0.0196 0.0546 0.3138 0.175 Uiso 0.50 1 calc PR A 2
C15B C 0.0567(19) -0.0275(4) 0.397(2) 0.204(18) Uani 0.50 1 d P A 2
H15D H 0.0057 -0.0303 0.4334 0.307 Uiso 0.50 1 calc PR A 2
H15E H 0.1133 -0.0383 0.4288 0.307 Uiso 0.50 1 calc PR A 2
H15F H 0.0380 -0.0369 0.3355 0.307 Uiso 0.50 1 calc PR A 2
C15A C 0.119(3) 0.0419(5) 0.4982(19) 0.24(2) Uani 0.50 1 d P A 2
H15G H 0.0693 0.0403 0.5367 0.362 Uiso 0.50 1 calc PR A 2
H15H H 0.1280 0.0644 0.4831 0.362 Uiso 0.50 1 calc PR A 2
H15I H 0.1776 0.0332 0.5322 0.362 Uiso 0.50 1 calc PR A 2
C20A C 0.3744(5) 0.1641(2) -0.2944(5) 0.103(2) Uani 1 1 d . . .
H20A H 0.3473 0.1790 -0.3434 0.155 Uiso 1 1 calc R . .
H20B H 0.4020 0.1458 -0.3219 0.155 Uiso 1 1 calc R . .
H20C H 0.4233 0.1752 -0.2513 0.155 Uiso 1 1 calc R . .
C20C C 0.1962(9) 0.1301(3) -0.3224(10) 0.259(11) Uani 1 1 d . . .
H20D H 0.1729 0.1456 -0.3711 0.388 Uiso 1 1 calc R . .
H20E H 0.1434 0.1219 -0.2948 0.388 Uiso 1 1 calc R . .
H20F H 0.2271 0.1123 -0.3491 0.388 Uiso 1 1 calc R . .
C20B C 0.2323(9) 0.1860(2) -0.1860(8) 0.197(7) Uani 1 1 d . . .
H20G H 0.2082 0.2004 -0.2373 0.295 Uiso 1 1 calc R . .
H20H H 0.2813 0.1970 -0.1430 0.295 Uiso 1 1 calc R . .
H20I H 0.1809 0.1798 -0.1534 0.295 Uiso 1 1 calc R . .
C21B C 0.5721(6) 0.1209(3) -0.1487(7) 0.148(5) Uani 1 1 d . . .
H21A H 0.6371 0.1275 -0.1268 0.222 Uiso 1 1 calc R . .
H21B H 0.5478 0.1321 -0.2064 0.222 Uiso 1 1 calc R . .
H21C H 0.5703 0.0977 -0.1599 0.222 Uiso 1 1 calc R . .
C21A C 0.5536(4) 0.10952(17) 0.0490(5) 0.095(2) Uani 1 1 d . . .
H21D H 0.6185 0.1170 0.0666 0.143 Uiso 1 1 calc R . .
H21E H 0.5535 0.0864 0.0373 0.143 Uiso 1 1 calc R . .
H21F H 0.5182 0.1140 0.0994 0.143 Uiso 1 1 calc R . .
C21C C 0.5021(5) 0.17514(16) -0.0325(5) 0.100(2) Uani 1 1 d . . .
H21G H 0.5675 0.1816 -0.0117 0.150 Uiso 1 1 calc R . .
H21H H 0.4649 0.1798 0.0163 0.150 Uiso 1 1 calc R . .
H21I H 0.4764 0.1871 -0.0886 0.150 Uiso 1 1 calc R . .
C22B C 0.3906(6) 0.05901(16) -0.2667(5) 0.092(2) Uani 1 1 d . . .
H22A H 0.3903 0.0367 -0.2874 0.138 Uiso 1 1 calc R . .
H22B H 0.4554 0.0670 -0.2555 0.138 Uiso 1 1 calc R . .
H22C H 0.3528 0.0721 -0.3145 0.138 Uiso 1 1 calc R . .
C22A C 0.2198(4) 0.04472(14) -0.1832(5) 0.0859(18) Uani 1 1 d . . .
H22D H 0.2227 0.0224 -0.2031 0.129 Uiso 1 1 calc R . .
H22E H 0.1825 0.0573 -0.2327 0.129 Uiso 1 1 calc R . .
H22F H 0.1904 0.0457 -0.1274 0.129 Uiso 1 1 calc R . .
C22C C 0.4145(5) 0.03664(14) -0.0668(4) 0.0852(18) Uani 1 1 d . . .
H22G H 0.4138 0.0143 -0.0871 0.128 Uiso 1 1 calc R . .
H22H H 0.3894 0.0380 -0.0086 0.128 Uiso 1 1 calc R . .
H22I H 0.4792 0.0447 -0.0572 0.128 Uiso 1 1 calc R . .
C32A C -0.0853(4) 0.17624(12) 0.2683(4) 0.0690(14) Uani 1 1 d D . .
H32A H -0.0542 0.1693 0.3296 0.104 Uiso 1 1 calc R B 2
H32B H -0.0763 0.1600 0.2222 0.104 Uiso 1 1 calc R B 2
H32C H -0.1526 0.1791 0.2690 0.104 Uiso 1 1 calc R B 2
C30A C 0.2864(10) 0.2515(4) 0.132(2) 0.144(11) Uani 0.50 1 d PD B 1
H30A H 0.3089 0.2308 0.1126 0.217 Uiso 0.50 1 calc PR B 1
H30B H 0.3180 0.2567 0.1944 0.217 Uiso 0.50 1 calc PR B 1
H30C H 0.3003 0.2682 0.0888 0.217 Uiso 0.50 1 calc PR B 1
C30B C 0.0770(15) 0.2361(3) 0.0161(8) 0.116(6) Uani 0.50 1 d PD B 1
H30D H 0.0109 0.2361 0.0242 0.173 Uiso 0.50 1 calc PR B 1
H30E H 0.0953 0.2145 -0.0001 0.173 Uiso 0.50 1 calc PR B 1
H30F H 0.0856 0.2510 -0.0337 0.173 Uiso 0.50 1 calc PR B 1
C30C C 0.126(3) 0.2918(5) 0.171(2) 0.132(13) Uani 0.50 1 d PDU B 1
H30G H 0.0589 0.2935 0.1725 0.198 Uiso 0.50 1 calc PR B 1
H30H H 0.1444 0.3078 0.1281 0.198 Uiso 0.50 1 calc PR B 1
H30I H 0.1616 0.2956 0.2332 0.198 Uiso 0.50 1 calc PR B 1
C31C C 0.3549(10) 0.2156(5) 0.3692(13) 0.100(7) Uani 0.50 1 d PDU B 1
H31A H 0.3710 0.2282 0.3176 0.150 Uiso 0.50 1 calc PR B 1
H31B H 0.3628 0.1928 0.3570 0.150 Uiso 0.50 1 calc PR B 1
H31C H 0.3963 0.2216 0.4265 0.150 Uiso 0.50 1 calc PR B 1
C31A C 0.212(2) 0.2686(3) 0.4052(18) 0.111(9) Uani 0.50 1 d PDU B 1
H31D H 0.2293 0.2812 0.3540 0.167 Uiso 0.50 1 calc PR B 1
H31E H 0.2522 0.2746 0.4631 0.167 Uiso 0.50 1 calc PR B 1
H31F H 0.1460 0.2729 0.4102 0.167 Uiso 0.50 1 calc PR B 1
C31B C 0.1941(15) 0.1999(5) 0.4815(12) 0.127(8) Uani 0.50 1 d PDU B 1
H31G H 0.1278 0.2037 0.4855 0.190 Uiso 0.50 1 calc PR B 1
H31H H 0.2333 0.2067 0.5394 0.190 Uiso 0.50 1 calc PR B 1
H31I H 0.2041 0.1770 0.4715 0.190 Uiso 0.50 1 calc PR B 1
C32B C -0.1042(10) 0.2449(4) 0.1868(13) 0.110(6) Uani 0.50 1 d PD B 1
H32D H -0.1061 0.2374 0.1230 0.165 Uiso 0.50 1 calc PR B 1
H32E H -0.0759 0.2663 0.1936 0.165 Uiso 0.50 1 calc PR B 1
H32F H -0.1683 0.2458 0.2009 0.165 Uiso 0.50 1 calc PR B 1
C32C C -0.0378(14) 0.2342(4) 0.3895(11) 0.118(6) Uani 0.50 1 d PD B 1
H32G H -0.0009 0.2204 0.4363 0.177 Uiso 0.50 1 calc PR B 1
H32H H -0.1032 0.2349 0.4001 0.177 Uiso 0.50 1 calc PR B 1
H32I H -0.0115 0.2559 0.3940 0.177 Uiso 0.50 1 calc PR B 1
C33B C 0.1721(17) 0.2348(4) 0.0301(8) 0.138(8) Uani 0.50 1 d PD B 2
H33A H 0.1047 0.2314 0.0090 0.208 Uiso 0.50 1 calc PR B 2
H33B H 0.2057 0.2145 0.0273 0.208 Uiso 0.50 1 calc PR B 2
H33C H 0.1958 0.2506 -0.0100 0.208 Uiso 0.50 1 calc PR B 2
C33A C 0.3222(9) 0.2570(6) 0.1906(17) 0.126(9) Uani 0.50 1 d PD B 2
H33D H 0.3547 0.2363 0.1976 0.190 Uiso 0.50 1 calc PR B 2
H33E H 0.3335 0.2685 0.2497 0.190 Uiso 0.50 1 calc PR B 2
H33F H 0.3462 0.2697 0.1431 0.190 Uiso 0.50 1 calc PR B 2
C33C C 0.1231(18) 0.2895(3) 0.1443(16) 0.073(4) Uani 0.50 1 d PDU B 2
H33G H 0.0561 0.2851 0.1246 0.110 Uiso 0.50 1 calc PR B 2
H33H H 0.1458 0.3033 0.0985 0.110 Uiso 0.50 1 calc PR B 2
H33I H 0.1323 0.3004 0.2045 0.110 Uiso 0.50 1 calc PR B 2
C34C C 0.3345(10) 0.2082(5) 0.4171(10) 0.079(5) Uani 0.50 1 d PDU B 2
H34A H 0.3644 0.2236 0.3805 0.118 Uiso 0.50 1 calc PR B 2
H34B H 0.3458 0.1864 0.3968 0.118 Uiso 0.50 1 calc PR B 2
H34C H 0.3611 0.2106 0.4828 0.118 Uiso 0.50 1 calc PR B 2
C34B C 0.1497(12) 0.1870(6) 0.4705(11) 0.119(8) Uani 0.50 1 d PDU B 2
H34D H 0.0823 0.1916 0.4638 0.178 Uiso 0.50 1 calc PR B 2
H34E H 0.1783 0.1889 0.5357 0.178 Uiso 0.50 1 calc PR B 2
H34F H 0.1588 0.1652 0.4487 0.178 Uiso 0.50 1 calc PR B 2
C34A C 0.1940(19) 0.2585(4) 0.441(2) 0.144(15) Uani 0.50 1 d PDU B 2
H34G H 0.2249 0.2731 0.4031 0.216 Uiso 0.50 1 calc PR B 2
H34H H 0.2236 0.2604 0.5060 0.216 Uiso 0.50 1 calc PR B 2
H34I H 0.1273 0.2640 0.4351 0.216 Uiso 0.50 1 calc PR B 2
C35B C -0.0878(8) 0.2305(3) 0.1222(9) 0.084(4) Uani 0.50 1 d PD B 2
H35A H -0.0734 0.2157 0.0745 0.126 Uiso 0.50 1 calc PR B 2
H35B H -0.0636 0.2519 0.1111 0.126 Uiso 0.50 1 calc PR B 2
H35C H -0.1561 0.2316 0.1199 0.126 Uiso 0.50 1 calc PR B 2
C35C C -0.0628(10) 0.2463(3) 0.3222(11) 0.092(5) Uani 0.50 1 d PD B 2
H35D H -0.0358 0.2397 0.3851 0.137 Uiso 0.50 1 calc PR B 2
H35E H -0.1313 0.2477 0.3169 0.137 Uiso 0.50 1 calc PR B 2
H35F H -0.0375 0.2673 0.3089 0.137 Uiso 0.50 1 calc PR B 2
O10 O -0.3281(2) 0.17519(7) 0.3007(2) 0.0543(7) Uani 1 1 d . . .
O11 O -0.1735(2) 0.13641(8) 0.4497(3) 0.0631(8) Uani 1 1 d . . .
O12 O -0.3809(2) 0.12775(9) 0.4408(3) 0.0660(9) Uani 1 1 d . . .
O13 O -0.2877(2) 0.09918(7) 0.2799(3) 0.0620(8) Uani 1 1 d . . .
C100 C -0.3400(5) 0.20413(13) 0.3501(4) 0.0772(16) Uani 1 1 d . . .
H10J H -0.2784 0.2145 0.3708 0.093 Uiso 1 1 calc R . .
H10K H -0.3693 0.1994 0.4053 0.093 Uiso 1 1 calc R . .
C101 C -0.4005(7) 0.22515(18) 0.2869(6) 0.126(3) Uani 1 1 d . . .
H10L H -0.4665 0.2236 0.2974 0.152 Uiso 1 1 calc R . .
H10M H -0.3797 0.2477 0.2958 0.152 Uiso 1 1 calc R . .
C102 C -0.3922(7) 0.21428(17) 0.1949(5) 0.109(3) Uani 1 1 d . . .
H10N H -0.3439 0.2269 0.1697 0.131 Uiso 1 1 calc R . .
H10O H -0.4529 0.2166 0.1527 0.131 Uiso 1 1 calc R . .
C103 C -0.3644(4) 0.18003(13) 0.2050(4) 0.0713(14) Uani 1 1 d . . .
H10P H -0.4194 0.1660 0.1854 0.086 Uiso 1 1 calc R . .
H10Q H -0.3158 0.1751 0.1665 0.086 Uiso 1 1 calc R . .
C110 C -0.1078(4) 0.11077(14) 0.4682(5) 0.0864(19) Uani 1 1 d . . .
H11J H -0.0700 0.1089 0.4177 0.104 Uiso 1 1 calc R . .
H11K H -0.1412 0.0903 0.4729 0.104 Uiso 1 1 calc R . .
C111 C -0.0474(9) 0.11789(19) 0.5552(9) 0.186(7) Uani 1 1 d . . .
H11L H -0.0591 0.1024 0.6032 0.224 Uiso 1 1 calc R . .
H11M H 0.0194 0.1161 0.5475 0.224 Uiso 1 1 calc R . .
C112 C -0.0666(6) 0.1495(3) 0.5827(6) 0.128(3) Uani 1 1 d . . .
H11N H -0.0116 0.1635 0.5806 0.153 Uiso 1 1 calc R . .
H11O H -0.0805 0.1494 0.6467 0.153 Uiso 1 1 calc R . .
C113 C -0.1488(4) 0.16132(15) 0.5177(5) 0.0825(17) Uani 1 1 d . . .
H11P H -0.2020 0.1657 0.5509 0.099 Uiso 1 1 calc R . .
H11Q H -0.1329 0.1813 0.4874 0.099 Uiso 1 1 calc R . .
C120 C -0.3676(5) 0.11174(18) 0.5288(5) 0.093(2) Uani 1 1 d . . .
H12J H -0.3098 0.1197 0.5682 0.112 Uiso 1 1 calc R . .
H12K H -0.3611 0.0884 0.5200 0.112 Uiso 1 1 calc R . .
C121 C -0.4494(4) 0.11832(18) 0.5729(5) 0.0871(18) Uani 1 1 d . . .
H12L H -0.4310 0.1310 0.6302 0.105 Uiso 1 1 calc R . .
H12M H -0.4786 0.0981 0.5890 0.105 Uiso 1 1 calc R . .
C122 C -0.5174(4) 0.13720(18) 0.5028(5) 0.0840(18) Uani 1 1 d . . .
H12N H -0.5821 0.1286 0.4980 0.101 Uiso 1 1 calc R . .
H12O H -0.5176 0.1602 0.5199 0.101 Uiso 1 1 calc R . .
C123 C -0.4806(4) 0.13266(18) 0.4151(5) 0.0834(18) Uani 1 1 d . . .
H12P H -0.5103 0.1138 0.3810 0.100 Uiso 1 1 calc R . .
H12Q H -0.4933 0.1518 0.3751 0.100 Uiso 1 1 calc R . .
C130 C -0.3517(4) 0.07280(12) 0.2795(5) 0.0746(15) Uani 1 1 d . . .
H13A H -0.4131 0.0779 0.2413 0.090 Uiso 1 1 calc R . .
H13B H -0.3620 0.0678 0.3433 0.090 Uiso 1 1 calc R . .
C131 C -0.3064(6) 0.04510(15) 0.2393(6) 0.101(2) Uani 1 1 d . . .
H13C H -0.2644 0.0332 0.2879 0.122 Uiso 1 1 calc R . .
H13D H -0.3541 0.0302 0.2066 0.122 Uiso 1 1 calc R . .
C132 C -0.2525(5) 0.06068(15) 0.1740(5) 0.0884(19) Uani 1 1 d . . .
H13E H -0.2920 0.0636 0.1126 0.106 Uiso 1 1 calc R . .
H13F H -0.1966 0.0478 0.1665 0.106 Uiso 1 1 calc R . .
C133 C -0.2240(4) 0.09258(13) 0.2181(4) 0.0701(14) Uani 1 1 d . . .
H13G H -0.1588 0.0916 0.2520 0.084 Uiso 1 1 calc R . .
H13H H -0.2275 0.1095 0.1703 0.084 Uiso 1 1 calc R . .
Li1 Li -0.2882(5) 0.13514(18) 0.3615(6) 0.0559(18) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ge1 0.0685(3) 0.0307(2) 0.0596(3) 0.00650(17) -0.0062(2) 0.00292(17)
Ge2 0.0446(2) 0.0440(2) 0.0489(3) -0.00317(17) 0.00171(18) -0.00120(15)
Ge3 0.0496(2) 0.02567(17) 0.0500(3) -0.00393(14) -0.00273(17) 0.00173(14)
Ge4 0.0463(2) 0.02917(18) 0.0454(2) 0.00223(14) -0.00395(17) 0.00242(13)
Ge5 0.0540(2) 0.02717(18) 0.0483(3) -0.00305(14) -0.00409(18) 0.00140(14)
Ge6 0.0540(2) 0.02935(18) 0.0533(3) 0.00290(15) 0.00480(19) 0.00066(15)
Ge7 0.0665(3) 0.0328(2) 0.0475(3) 0.00018(16) -0.0105(2) 0.00155(16)
Ge8 0.0485(2) 0.0403(2) 0.0614(3) -0.00318(18) -0.0050(2) 0.00947(16)
Ge9 0.0461(2) 0.0356(2) 0.0577(3) -0.00243(17) -0.00284(19) -0.00377(15)
Cr1 0.0445(3) 0.0418(3) 0.0541(4) 0.0013(3) -0.0055(3) 0.0006(2)
Si1 0.0539(6) 0.0272(4) 0.0523(7) 0.0062(4) 0.0013(5) 0.0069(4)
Si2 0.0440(5) 0.0403(5) 0.0525(7) 0.0032(4) 0.0047(5) 0.0016(4)
Si3 0.0521(5) 0.0238(4) 0.0528(6) -0.0024(4) -0.0041(5) 0.0002(4)
Si10 0.137(2) 0.0378(10) 0.103(2) 0.0096(11) 0.0527(18) 0.0313(12)
Si11 0.0819(15) 0.0768(14) 0.0493(13) 0.0098(10) 0.0021(10) -0.0189(11)
Si12 0.0669(13) 0.0477(11) 0.117(2) 0.0244(12) -0.0219(13) -0.0133(9)
Si13 0.092(3) 0.0300(15) 0.060(2) 0.0007(14) 0.002(2) -0.0067(16)
Si14 0.085(3) 0.043(2) 0.089(3) 0.016(2) -0.030(2) -0.0007(18)
Si15 0.109(4) 0.059(3) 0.130(5) 0.037(3) 0.060(4) 0.023(3)
Si20 0.0540(7) 0.0604(8) 0.0872(11) 0.0294(7) 0.0074(7) 0.0032(5)
Si21 0.0444(6) 0.0915(11) 0.0788(11) 0.0098(8) 0.0038(6) -0.0091(6)
Si22 0.0728(8) 0.0462(6) 0.0593(8) -0.0025(5) 0.0133(6) 0.0128(5)
Si30 0.102(3) 0.0279(13) 0.075(3) 0.0104(14) 0.026(2) -0.0026(19)
Si31 0.084(5) 0.046(2) 0.070(5) -0.020(2) -0.027(3) 0.020(2)
Si32 0.0424(18) 0.0302(16) 0.106(5) -0.002(2) 0.012(3) -0.0002(11)
Si33 0.072(3) 0.0428(17) 0.136(5) 0.030(2) -0.019(2) -0.0143(17)
Si34 0.066(3) 0.096(6) 0.068(5) -0.033(4) -0.015(3) 0.022(3)
Si35 0.070(3) 0.052(2) 0.102(5) -0.017(3) -0.016(3) 0.0183(19)
O1 0.059(2) 0.141(4) 0.084(3) 0.023(3) -0.026(2) -0.011(2)
O2 0.087(5) 0.054(5) 0.137(9) 0.035(5) 0.017(5) 0.001(4)
O3 0.115(8) 0.107(8) 0.072(6) -0.024(5) 0.013(5) 0.035(6)
O4 0.063(4) 0.088(6) 0.076(5) -0.002(4) 0.016(4) 0.004(4)
O5 0.087(6) 0.056(5) 0.132(9) 0.015(5) 0.000(6) -0.027(4)
O2A 0.084(7) 0.042(5) 0.112(9) 0.022(5) -0.005(6) -0.009(4)
O3A 0.082(6) 0.043(5) 0.078(6) -0.004(4) 0.012(5) -0.008(4)
O4A 0.113(11) 0.22(2) 0.163(14) -0.106(15) 0.000(10) 0.060(13)
O5A 0.100(9) 0.128(12) 0.076(8) 0.008(7) 0.033(7) -0.041(8)
C1 0.050(2) 0.088(4) 0.069(4) 0.008(3) -0.003(2) -0.007(2)
C2 0.056(6) 0.050(7) 0.075(10) 0.017(5) 0.003(5) 0.002(4)
C4 0.054(5) 0.044(5) 0.068(6) 0.005(4) -0.010(5) -0.005(4)
C5 0.051(6) 0.059(7) 0.079(9) 0.012(6) -0.018(6) -0.017(5)
C3 0.066(7) 0.046(7) 0.056(6) -0.004(5) -0.003(5) -0.003(5)
C4A 0.063(8) 0.095(12) 0.102(12) -0.049(10) -0.011(8) 0.031(8)
C3A 0.060(7) 0.020(5) 0.051(6) -0.001(4) 0.003(5) -0.013(4)
C5A 0.047(8) 0.101(15) 0.085(11) 0.005(11) 0.010(7) -0.005(7)
C2A 0.063(9) 0.041(7) 0.067(12) 0.005(6) -0.023(8) 0.000(6)
C10B 0.088(9) 0.100(10) 0.105(12) 0.019(8) 0.051(9) 0.053(8)
C10A 0.19(2) 0.067(10) 0.34(4) 0.091(16) 0.17(2) 0.078(13)
C10C 0.26(4) 0.085(12) 0.098(17) -0.008(10) 0.10(2) 0.046(17)
C11C 0.102(14) 0.13(3) 0.103(15) -0.020(18) 0.011(12) -0.023(16)
C11B 0.31(4) 0.116(17) 0.074(11) 0.043(11) 0.000(18) -0.09(2)
C11A 0.121(13) 0.173(19) 0.083(11) -0.068(12) 0.029(9) -0.034(12)
C12C 0.21(3) 0.111(16) 0.116(17) 0.028(13) -0.029(17) -0.090(17)
C12B 0.086(8) 0.069(8) 0.145(14) -0.017(9) -0.059(9) 0.004(6)
C12A 0.108(13) 0.063(10) 0.33(4) 0.088(15) -0.085(18) -0.041(9)
C13C 0.089(9) 0.090(15) 0.115(16) -0.052(13) 0.024(9) -0.024(10)
C13B 0.169(14) 0.031(5) 0.086(9) 0.000(5) 0.027(9) 0.021(7)
C13A 0.31(3) 0.088(11) 0.142(17) 0.041(12) -0.14(2) -0.101(17)
C14C 0.116(16) 0.067(11) 0.078(12) 0.006(9) -0.042(12) -0.037(10)
C14B 0.19(2) 0.071(9) 0.128(17) 0.064(11) -0.048(15) 0.004(11)
C14A 0.101(17) 0.21(3) 0.37(6) 0.08(4) 0.11(3) 0.075(18)
C15C 0.043(6) 0.113(15) 0.21(3) 0.034(14) 0.067(11) 0.012(7)
C15B 0.21(2) 0.052(9) 0.40(5) 0.076(17) 0.19(3) 0.015(11)
C15A 0.49(6) 0.107(16) 0.20(3) -0.008(16) 0.25(4) 0.02(2)
C20A 0.088(4) 0.139(7) 0.084(5) 0.049(5) 0.016(4) 0.014(4)
C20C 0.238(13) 0.161(9) 0.294(16) 0.151(11) -0.207(13) -0.126(9)
C20B 0.289(14) 0.132(8) 0.220(12) 0.120(8) 0.189(12) 0.140(9)
C21B 0.066(4) 0.263(15) 0.122(8) -0.007(8) 0.034(5) 0.002(6)
C21A 0.057(3) 0.098(5) 0.116(5) 0.021(4) -0.026(3) -0.005(3)
C21C 0.097(4) 0.091(4) 0.099(5) 0.030(4) -0.026(4) -0.049(4)
C22B 0.128(6) 0.079(4) 0.074(4) -0.006(3) 0.030(4) 0.024(4)
C22A 0.090(4) 0.060(3) 0.109(5) -0.033(3) 0.020(4) -0.003(3)
C22C 0.120(5) 0.058(3) 0.074(4) 0.006(3) 0.004(3) 0.028(3)
C32A 0.059(3) 0.056(3) 0.095(4) -0.005(3) 0.021(3) -0.002(2)
C30A 0.113(14) 0.075(10) 0.27(3) 0.075(16) 0.102(18) 0.029(10)
C30B 0.22(2) 0.060(7) 0.059(8) 0.010(6) 0.006(11) -0.018(10)
C30C 0.14(2) 0.038(8) 0.21(3) -0.029(12) 0.01(2) 0.007(9)
C31C 0.069(8) 0.078(11) 0.132(18) -0.047(12) -0.042(10) 0.021(7)
C31A 0.157(16) 0.048(7) 0.104(16) -0.042(8) -0.054(13) 0.023(8)
C31B 0.16(2) 0.098(12) 0.097(13) 0.031(10) -0.042(13) 0.005(12)
C32B 0.073(8) 0.079(9) 0.167(18) 0.029(10) -0.017(9) 0.011(7)
C32C 0.125(15) 0.089(11) 0.156(18) -0.050(11) 0.068(14) -0.013(10)
C33B 0.22(2) 0.093(11) 0.087(11) 0.057(9) -0.022(13) -0.050(13)
C33A 0.061(8) 0.117(14) 0.19(2) 0.061(14) -0.022(10) -0.021(8)
C33C 0.103(11) 0.028(6) 0.084(9) 0.022(6) 0.000(7) -0.006(6)
C34C 0.070(8) 0.071(9) 0.079(11) -0.028(8) -0.037(7) 0.026(7)
C34B 0.092(11) 0.21(3) 0.050(9) 0.034(11) 0.004(8) -0.008(12)
C34A 0.136(18) 0.125(18) 0.14(2) -0.089(17) -0.082(16) 0.094(17)
C35B 0.061(6) 0.074(8) 0.102(10) 0.011(7) -0.030(6) 0.010(5)
C35C 0.072(7) 0.068(8) 0.129(13) -0.040(8) -0.002(8) 0.023(6)
O10 0.0641(17) 0.0424(14) 0.0528(18) -0.0046(12) -0.0013(14) 0.0096(12)
O11 0.0565(17) 0.0596(19) 0.067(2) 0.0022(15) -0.0096(15) 0.0066(14)
O12 0.0548(17) 0.081(2) 0.062(2) 0.0185(17) 0.0095(16) 0.0093(15)
O13 0.0678(19) 0.0443(16) 0.072(2) -0.0056(15) 0.0065(17) -0.0015(13)
C100 0.105(4) 0.052(3) 0.068(3) -0.016(2) -0.005(3) 0.017(3)
C101 0.185(9) 0.070(4) 0.115(6) -0.011(4) -0.004(6) 0.061(5)
C102 0.165(7) 0.078(4) 0.077(4) 0.014(3) -0.002(4) 0.041(5)
C103 0.083(3) 0.063(3) 0.063(3) -0.006(2) -0.004(3) 0.011(2)
C110 0.078(3) 0.063(3) 0.106(5) 0.006(3) -0.019(3) 0.018(3)
C111 0.211(11) 0.078(5) 0.207(11) -0.014(6) -0.155(10) 0.033(6)
C112 0.106(6) 0.165(9) 0.094(6) -0.018(5) -0.039(4) 0.029(6)
C113 0.080(4) 0.078(4) 0.081(4) -0.013(3) -0.012(3) 0.003(3)
C120 0.086(4) 0.114(5) 0.085(5) 0.047(4) 0.030(4) 0.038(4)
C121 0.077(4) 0.116(5) 0.067(4) 0.006(3) 0.008(3) -0.013(3)
C122 0.064(3) 0.106(5) 0.080(4) -0.017(3) 0.005(3) 0.007(3)
C123 0.051(3) 0.106(5) 0.091(5) 0.017(4) 0.004(3) 0.005(3)
C130 0.084(4) 0.047(2) 0.092(4) 0.002(2) 0.013(3) -0.007(2)
C131 0.132(6) 0.056(3) 0.125(6) -0.024(4) 0.049(5) -0.009(3)
C132 0.088(4) 0.071(4) 0.105(5) -0.019(3) 0.012(4) 0.018(3)
C133 0.070(3) 0.060(3) 0.080(4) 0.002(2) 0.015(3) 0.012(2)
Li1 0.055(4) 0.050(4) 0.058(5) 0.000(3) -0.004(3) 0.006(3)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 Si1 2.3551(11) . ?
Ge1 Ge6 2.4956(7) . ?
Ge1 Ge7 2.4999(7) . ?
Ge1 Ge8 2.5114(9) . ?
Ge1 Ge5 2.5181(9) . ?
Ge2 Si2 2.4064(14) . ?
Ge2 Ge4 2.5251(8) . ?
Ge2 Ge9 2.5605(8) . ?
Ge2 Ge8 2.5635(9) . ?
Ge2 Ge5 2.6290(7) . ?
Ge3 Si3 2.3881(11) . ?
Ge3 Ge4 2.5212(8) . ?
Ge3 Ge7 2.5416(8) . ?
Ge3 Ge9 2.5595(8) . ?
Ge3 Ge6 2.6179(7) . ?
Ge4 Cr1 2.5534(11) . ?
Ge4 Ge5 2.6318(7) . ?
Ge4 Ge6 2.6336(8) . ?
Ge5 Ge6 2.8258(8) . ?
Ge7 Ge9 2.6437(9) . ?
Ge7 Ge8 2.8684(9) . ?
Ge8 Ge9 2.6513(8) . ?
Cr1 C5A 1.81(2) . ?
Cr1 C1 1.846(5) . ?
Cr1 C3 1.854(13) . ?
Cr1 C2 1.857(16) . ?
Cr1 C4 1.892(13) . ?
Cr1 C4A 1.896(14) . ?
Cr1 C3A 1.914(14) . ?
Cr1 C5 1.930(13) . ?
Cr1 C2A 1.97(2) . ?
Si1 Si11 2.312(3) . ?
Si1 Si13 2.316(4) . ?
Si1 Si12 2.324(3) . ?
Si1 Si10 2.360(3) . ?
Si1 Si14 2.367(4) . ?
Si1 Si15 2.394(5) . ?
Si2 Si22 2.3448(17) . ?
Si2 Si20 2.3489(18) . ?
Si2 Si21 2.3538(18) . ?
Si3 Si35 2.288(10) . ?
Si3 Si31 2.301(11) . ?
Si3 Si33 2.345(6) . ?
Si3 Si34 2.361(12) . ?
Si3 Si30 2.370(4) . ?
Si3 Si32 2.400(8) . ?
Si10 C10B 1.89(2) . ?
Si10 C10A 1.896(15) . ?
Si10 C10C 1.92(4) . ?
Si11 C11C 1.78(3) . ?
Si11 C11B 1.826(16) . ?
Si11 C11A 1.946(19) . ?
Si12 C12C 1.68(3) . ?
Si12 C12A 1.874(14) . ?
Si12 C12B 1.916(16) . ?
Si13 C13B 1.885(12) . ?
Si13 C13C 1.93(3) . ?
Si13 C13A 1.98(2) . ?
Si14 C14C 1.80(3) . ?
Si14 C14B 2.018(17) . ?
Si14 C14A 2.04(3) . ?
Si15 C15C 1.74(2) . ?
Si15 C15A 1.93(3) . ?
Si15 C15B 1.942(17) . ?
Si20 C20B 1.831(9) . ?
Si20 C20A 1.834(7) . ?
Si20 C20C 1.858(10) . ?
Si21 C21A 1.872(7) . ?
Si21 C21B 1.885(9) . ?
Si21 C21C 1.885(7) . ?
Si22 C22A 1.851(6) . ?
Si22 C22B 1.865(6) . ?
Si22 C22C 1.874(6) . ?
Si30 C30A 1.898(13) . ?
Si30 C30C 1.929(15) . ?
Si30 C30B 1.933(12) . ?
Si31 C31B 1.889(14) . ?
Si31 C31C 1.910(13) . ?
Si31 C31A 1.923(13) . ?
Si32 C32B 1.840(11) . ?
Si32 C32C 1.939(13) . ?
Si33 C33A 1.893(12) . ?
Si33 C33B 1.908(13) . ?
Si33 C33C 1.911(13) . ?
Si34 C34B 1.854(14) . ?
Si34 C34C 1.859(13) . ?
Si34 C34A 1.885(14) . ?
Si35 C35B 1.844(12) . ?
Si35 C35C 1.873(12) . ?
Si35 C32A 1.918(11) . ?
O1 C1 1.150(6) . ?
O2 C2 1.127(17) . ?
O3 C3 1.168(15) . ?
O4 C4 1.152(14) . ?
O5 C5 1.132(15) . ?
O2A C2A 1.11(2) . ?
O3A C3A 1.091(16) . ?
O4A C4A 1.116(18) . ?
O5A C5A 1.21(3) . ?
O10 C103 1.427(6) . ?
O10 C100 1.432(6) . ?
O10 Li1 1.935(8) . ?
O11 C110 1.425(6) . ?
O11 C113 1.442(7) . ?
O11 Li1 1.927(8) . ?
O12 C120 1.436(7) . ?
O12 C123 1.440(6) . ?
O12 Li1 1.933(9) . ?
O13 C133 1.417(7) . ?
O13 C130 1.436(6) . ?
O13 Li1 1.918(9) . ?
C100 C101 1.457(9) . ?
C101 C102 1.444(11) . ?
C102 C103 1.485(8) . ?
C110 C111 1.451(10) . ?
C111 C112 1.418(12) . ?
C112 C113 1.479(9) . ?
C120 C121 1.460(9) . ?
C121 C122 1.519(9) . ?
C122 C123 1.480(9) . ?
C130 C131 1.495(8) . ?
C131 C132 1.477(10) . ?
C132 C133 1.507(8) . ?

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
Si1 Ge1 Ge6 127.63(4) . . ?
Si1 Ge1 Ge7 127.70(4) . . ?
Ge6 Ge1 Ge7 76.41(3) . . ?
Si1 Ge1 Ge8 119.05(4) . . ?
Ge6 Ge1 Ge8 112.81(2) . . ?
Ge7 Ge1 Ge8 69.83(2) . . ?
Si1 Ge1 Ge5 119.29(4) . . ?
Ge6 Ge1 Ge5 68.61(3) . . ?
Ge7 Ge1 Ge5 112.66(2) . . ?
Ge8 Ge1 Ge5 73.64(3) . . ?
Si2 Ge2 Ge4 134.85(4) . . ?
Si2 Ge2 Ge9 120.65(4) . . ?
Ge4 Ge2 Ge9 97.09(3) . . ?
Si2 Ge2 Ge8 106.59(3) . . ?
Ge4 Ge2 Ge8 112.92(3) . . ?
Ge9 Ge2 Ge8 62.32(3) . . ?
Si2 Ge2 Ge5 115.42(4) . . ?
Ge4 Ge2 Ge5 61.37(2) . . ?
Ge9 Ge2 Ge5 114.00(3) . . ?
Ge8 Ge2 Ge5 70.96(3) . . ?
Si3 Ge3 Ge4 129.30(3) . . ?
Si3 Ge3 Ge7 114.36(4) . . ?
Ge4 Ge3 Ge7 115.02(3) . . ?
Si3 Ge3 Ge9 115.19(3) . . ?
Ge4 Ge3 Ge9 97.21(3) . . ?
Ge7 Ge3 Ge9 62.43(2) . . ?
Si3 Ge3 Ge6 124.82(4) . . ?
Ge4 Ge3 Ge6 61.62(2) . . ?
Ge7 Ge3 Ge6 73.55(2) . . ?
Ge9 Ge3 Ge6 115.81(2) . . ?
Ge3 Ge4 Ge2 83.34(3) . . ?
Ge3 Ge4 Cr1 140.23(3) . . ?
Ge2 Ge4 Cr1 132.92(3) . . ?
Ge3 Ge4 Ge5 102.54(2) . . ?
Ge2 Ge4 Ge5 61.260(17) . . ?
Cr1 Ge4 Ge5 109.29(2) . . ?
Ge3 Ge4 Ge6 61.00(2) . . ?
Ge2 Ge4 Ge6 104.13(3) . . ?
Cr1 Ge4 Ge6 112.54(3) . . ?
Ge5 Ge4 Ge6 64.914(19) . . ?
Ge1 Ge5 Ge2 98.02(3) . . ?
Ge1 Ge5 Ge4 102.97(2) . . ?
Ge2 Ge5 Ge4 57.367(19) . . ?
Ge1 Ge5 Ge6 55.32(2) . . ?
Ge2 Ge5 Ge6 96.42(2) . . ?
Ge4 Ge5 Ge6 57.573(17) . . ?
Ge1 Ge6 Ge3 96.24(2) . . ?
Ge1 Ge6 Ge4 103.55(3) . . ?
Ge3 Ge6 Ge4 57.38(2) . . ?
Ge1 Ge6 Ge5 56.07(2) . . ?
Ge3 Ge6 Ge5 95.14(2) . . ?
Ge4 Ge6 Ge5 57.51(2) . . ?
Ge1 Ge7 Ge3 98.11(3) . . ?
Ge1 Ge7 Ge9 104.82(3) . . ?
Ge3 Ge7 Ge9 59.12(2) . . ?
Ge1 Ge7 Ge8 55.27(2) . . ?
Ge3 Ge7 Ge8 94.99(2) . . ?
Ge9 Ge7 Ge8 57.33(2) . . ?
Ge1 Ge8 Ge2 99.93(3) . . ?
Ge1 Ge8 Ge9 104.27(2) . . ?
Ge2 Ge8 Ge9 58.785(19) . . ?
Ge1 Ge8 Ge7 54.89(2) . . ?
Ge2 Ge8 Ge7 95.93(2) . . ?
Ge9 Ge8 Ge7 57.073(17) . . ?
Ge3 Ge9 Ge2 81.88(3) . . ?
Ge3 Ge9 Ge7 58.45(3) . . ?
Ge2 Ge9 Ge7 101.82(2) . . ?
Ge3 Ge9 Ge8 100.073(19) . . ?
Ge2 Ge9 Ge8 58.895(18) . . ?
Ge7 Ge9 Ge8 65.60(2) . . ?
C5A Cr1 C1 90.2(7) . . ?
C5A Cr1 C3 108.7(7) . . ?
C1 Cr1 C3 92.1(4) . . ?
C5A Cr1 C2 154.9(7) . . ?
C1 Cr1 C2 87.9(5) . . ?
C3 Cr1 C2 96.3(6) . . ?
C5A Cr1 C4 61.9(7) . . ?
C1 Cr1 C4 88.7(4) . . ?
C3 Cr1 C4 170.6(5) . . ?
C2 Cr1 C4 93.1(5) . . ?
C5A Cr1 C4A 84.4(10) . . ?
C1 Cr1 C4A 93.7(5) . . ?
C3 Cr1 C4A 165.6(8) . . ?
C2 Cr1 C4A 70.8(9) . . ?
C4 Cr1 C4A 23.1(7) . . ?
C5A Cr1 C3A 92.7(7) . . ?
C1 Cr1 C3A 86.3(5) . . ?
C3 Cr1 C3A 17.1(3) . . ?
C2 Cr1 C3A 112.1(6) . . ?
C4 Cr1 C3A 154.1(4) . . ?
C4A Cr1 C3A 177.1(8) . . ?
C5A Cr1 C5 20.8(6) . . ?
C1 Cr1 C5 94.6(4) . . ?
C3 Cr1 C5 88.2(6) . . ?
C2 Cr1 C5 174.8(7) . . ?
C4 Cr1 C5 82.4(6) . . ?
C4A Cr1 C5 104.4(9) . . ?
C3A Cr1 C5 72.7(6) . . ?
C5A Cr1 C2A 175.0(7) . . ?
C1 Cr1 C2A 87.7(5) . . ?
C3 Cr1 C2A 75.9(6) . . ?
C2 Cr1 C2A 20.5(5) . . ?
C4 Cr1 C2A 113.5(6) . . ?
C4A Cr1 C2A 91.2(9) . . ?
C3A Cr1 C2A 91.7(6) . . ?
C5 Cr1 C2A 164.0(7) . . ?
C5A Cr1 Ge4 93.7(6) . . ?
C1 Cr1 Ge4 174.66(19) . . ?
C3 Cr1 Ge4 83.2(4) . . ?
C2 Cr1 Ge4 90.2(4) . . ?
C4 Cr1 Ge4 96.4(3) . . ?
C4A Cr1 Ge4 90.4(4) . . ?
C3A Cr1 Ge4 89.8(4) . . ?
C5 Cr1 Ge4 87.8(3) . . ?
C2A Cr1 Ge4 88.8(4) . . ?
Si11 Si1 Si13 140.03(13) . . ?
Si11 Si1 Si12 113.02(12) . . ?
Si13 Si1 Si12 70.28(15) . . ?
Si11 Si1 Ge1 106.88(7) . . ?
Si13 Si1 Ge1 110.00(11) . . ?
Si12 Si1 Ge1 106.63(7) . . ?
Si11 Si1 Si10 111.66(12) . . ?
Si13 Si1 Si10 42.44(15) . . ?
Si12 Si1 Si10 111.50(13) . . ?
Ge1 Si1 Si10 106.71(8) . . ?
Si11 Si1 Si14 40.66(17) . . ?
Si13 Si1 Si14 111.65(17) . . ?
Si12 Si1 Si14 142.46(15) . . ?
Ge1 Si1 Si14 107.33(11) . . ?
Si10 Si1 Si14 73.02(17) . . ?
Si11 Si1 Si15 68.8(2) . . ?
Si13 Si1 Si15 110.7(2) . . ?
Si12 Si1 Si15 45.5(2) . . ?
Ge1 Si1 Si15 110.52(12) . . ?
Si10 Si1 Si15 140.72(14) . . ?
Si14 Si1 Si15 106.5(2) . . ?
Si22 Si2 Si20 112.79(8) . . ?
Si22 Si2 Si21 108.63(7) . . ?
Si20 Si2 Si21 106.30(7) . . ?
Si22 Si2 Ge2 113.48(6) . . ?
Si20 Si2 Ge2 108.66(6) . . ?
Si21 Si2 Ge2 106.55(7) . . ?
Si35 Si3 Si31 121.1(3) . . ?
Si35 Si3 Si33 114.3(3) . . ?
Si31 Si3 Si33 96.3(2) . . ?
Si35 Si3 Si34 111.7(3) . . ?
Si31 Si3 Si34 13.4(3) . . ?
Si33 Si3 Si34 109.6(2) . . ?
Si35 Si3 Si30 101.5(3) . . ?
Si31 Si3 Si30 109.6(2) . . ?
Si33 Si3 Si30 14.44(13) . . ?
Si34 Si3 Si30 122.6(2) . . ?
Si35 Si3 Ge3 107.8(2) . . ?
Si31 Si3 Ge3 112.4(2) . . ?
Si33 Si3 Ge3 103.24(17) . . ?
Si34 Si3 Ge3 109.7(2) . . ?
Si30 Si3 Ge3 102.26(11) . . ?
Si35 Si3 Si32 10.5(4) . . ?
Si31 Si3 Si32 110.8(3) . . ?
Si33 Si3 Si32 120.2(2) . . ?
Si34 Si3 Si32 101.2(3) . . ?
Si30 Si3 Si32 108.6(2) . . ?
Ge3 Si3 Si32 112.77(16) . . ?
C10B Si10 C10A 104.1(10) . . ?
C10B Si10 C10C 108.2(12) . . ?
C10A Si10 C10C 120.7(15) . . ?
C10B Si10 Si1 111.6(5) . . ?
C10A Si10 Si1 107.6(6) . . ?
C10C Si10 Si1 104.7(10) . . ?
C11C Si11 C11B 114.0(15) . . ?
C11C Si11 C11A 109.9(13) . . ?
C11B Si11 C11A 105.7(11) . . ?
C11C Si11 Si1 109.2(14) . . ?
C11B Si11 Si1 111.0(7) . . ?
C11A Si11 Si1 106.8(6) . . ?
C12C Si12 C12A 112.6(13) . . ?
C12C Si12 C12B 105.7(11) . . ?
C12A Si12 C12B 110.4(10) . . ?
C12C Si12 Si1 111.2(9) . . ?
C12A Si12 Si1 106.8(5) . . ?
C12B Si12 Si1 110.1(5) . . ?
C13B Si13 C13C 100.6(12) . . ?
C13B Si13 C13A 118.6(8) . . ?
C13C Si13 C13A 114.1(12) . . ?
C13B Si13 Si1 107.7(5) . . ?
C13C Si13 Si1 112.3(6) . . ?
C13A Si13 Si1 103.7(8) . . ?
C14C Si14 C14B 103.6(13) . . ?
C14C Si14 C14A 117.1(19) . . ?
C14B Si14 C14A 117.8(11) . . ?
C14C Si14 Si1 113.3(10) . . ?
C14B Si14 Si1 105.0(6) . . ?
C14A Si14 Si1 99.8(10) . . ?
C15C Si15 C15A 109.6(14) . . ?
C15C Si15 C15B 101.6(13) . . ?
C15A Si15 C15B 117.5(13) . . ?
C15C Si15 Si1 112.8(8) . . ?
C15A Si15 Si1 108.2(10) . . ?
C15B Si15 Si1 107.2(7) . . ?
C20B Si20 C20A 106.3(4) . . ?
C20B Si20 C20C 112.0(7) . . ?
C20A Si20 C20C 103.8(6) . . ?
C20B Si20 Si2 110.3(3) . . ?
C20A Si20 Si2 111.9(2) . . ?
C20C Si20 Si2 112.2(3) . . ?
C21A Si21 C21B 105.4(4) . . ?
C21A Si21 C21C 107.5(3) . . ?
C21B Si21 C21C 110.6(4) . . ?
C21A Si21 Si2 113.5(2) . . ?
C21B Si21 Si2 109.9(3) . . ?
C21C Si21 Si2 109.9(2) . . ?
C22A Si22 C22B 106.8(3) . . ?
C22A Si22 C22C 110.3(3) . . ?
C22B Si22 C22C 108.6(3) . . ?
C22A Si22 Si2 112.21(18) . . ?
C22B Si22 Si2 108.7(2) . . ?
C22C Si22 Si2 110.1(2) . . ?
C30A Si30 C30C 102.5(14) . . ?
C30A Si30 C30B 117.4(11) . . ?
C30C Si30 C30B 114.2(12) . . ?
C30A Si30 Si3 107.6(6) . . ?
C30C Si30 Si3 107.7(11) . . ?
C30B Si30 Si3 106.9(5) . . ?
C31B Si31 C31C 110.5(10) . . ?
C31B Si31 C31A 108.8(13) . . ?
C31C Si31 C31A 109.3(13) . . ?
C31B Si31 Si3 111.1(7) . . ?
C31C Si31 Si3 110.9(7) . . ?
C31A Si31 Si3 106.0(8) . . ?
C32B Si32 C32C 105.0(10) . . ?
C32B Si32 Si3 114.4(6) . . ?
C32C Si32 Si3 108.9(7) . . ?
C33A Si33 C33B 107.6(12) . . ?
C33A Si33 C33C 111.8(11) . . ?
C33B Si33 C33C 102.7(10) . . ?
C33A Si33 Si3 114.1(7) . . ?
C33B Si33 Si3 108.1(5) . . ?
C33C Si33 Si3 111.8(7) . . ?
C34B Si34 C34C 109.3(10) . . ?
C34B Si34 C34A 111.7(15) . . ?
C34C Si34 C34A 105.2(11) . . ?
C34B Si34 Si3 107.8(7) . . ?
C34C Si34 Si3 115.2(7) . . ?
C34A Si34 Si3 107.6(9) . . ?
C35B Si35 C35C 105.8(8) . . ?
C35B Si35 C32A 111.5(6) . . ?
C35C Si35 C32A 106.2(8) . . ?
C35B Si35 Si3 110.9(6) . . ?
C35C Si35 Si3 110.5(6) . . ?
C32A Si35 Si3 111.7(5) . . ?
O1 C1 Cr1 177.3(6) . . ?
O2 C2 Cr1 176.6(13) . . ?
O4 C4 Cr1 175.7(10) . . ?
O5 C5 Cr1 177.5(13) . . ?
O3 C3 Cr1 179.5(13) . . ?
O4A C4A Cr1 179(2) . . ?
O3A C3A Cr1 175.1(11) . . ?
O5A C5A Cr1 173.3(18) . . ?
O2A C2A Cr1 177.3(14) . . ?
C103 O10 C100 108.7(4) . . ?
C103 O10 Li1 127.4(4) . . ?
C100 O10 Li1 123.2(4) . . ?
C110 O11 C113 109.2(4) . . ?
C110 O11 Li1 125.3(4) . . ?
C113 O11 Li1 124.8(4) . . ?
C120 O12 C123 106.4(4) . . ?
C120 O12 Li1 127.5(4) . . ?
C123 O12 Li1 125.3(4) . . ?
C133 O13 C130 109.4(4) . . ?
C133 O13 Li1 128.2(4) . . ?
C130 O13 Li1 122.3(4) . . ?
O10 C100 C101 107.2(5) . . ?
C102 C101 C100 105.7(6) . . ?
C101 C102 C103 105.8(6) . . ?
O10 C103 C102 106.5(5) . . ?
O11 C110 C111 107.4(6) . . ?
C112 C111 C110 108.8(6) . . ?
C111 C112 C113 107.5(6) . . ?
O11 C113 C112 106.5(5) . . ?
O12 C120 C121 108.1(5) . . ?
C120 C121 C122 106.1(5) . . ?
C123 C122 C121 103.7(5) . . ?
O12 C123 C122 106.0(5) . . ?
O13 C130 C131 105.8(5) . . ?
C132 C131 C130 103.0(5) . . ?
C131 C132 C133 104.3(5) . . ?
O13 C133 C132 106.6(5) . . ?
O13 Li1 O11 110.4(4) . . ?
O13 Li1 O12 108.8(4) . . ?
O11 Li1 O12 101.8(4) . . ?
O13 Li1 O10 114.8(4) . . ?
O11 Li1 O10 116.3(4) . . ?
O12 Li1 O10 103.4(4) . . ?

_diffrn_measured_fraction_theta_max 0.824
_diffrn_reflns_theta_full        32.74
_diffrn_measured_fraction_theta_full 0.824
_refine_diff_density_max         2.058
_refine_diff_density_min         -1.018
_refine_diff_density_rms         0.114