# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_973j

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H74 Ge N2 Si8'
_chemical_formula_weight         748.21

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   12.106(3)
_cell_length_b                   23.293(5)
_cell_length_c                   16.666(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.081(4)
_cell_angle_gamma                90.00
_cell_volume                     4577.9(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    10667
_cell_measurement_theta_min      4.904
_cell_measurement_theta_max      52.246

_exptl_crystal_description       blocks
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.086
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1624
_exptl_absorpt_coefficient_mu    0.898
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.7559
_exptl_absorpt_correction_T_max  0.8771
_exptl_absorpt_process_details   none

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SMART APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            36156
_diffrn_reflns_av_R_equivalents  0.0533
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.53
_diffrn_reflns_theta_max         26.37
_reflns_number_total             9341
_reflns_number_gt                7432
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0615P)²+0.0926P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9341
_refine_ls_number_parameters     385
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0435
_refine_ls_wR_factor_ref         0.1112
_refine_ls_wR_factor_gt          0.1059
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1708(2) 0.02360(10) 0.31074(15) 0.0222(5) Uani 1 1 d . . .
C2 C 0.1338(2) -0.06867(11) 0.34017(16) 0.0299(6) Uani 1 1 d . . .
C3 C 0.0387(2) -0.04758(11) 0.29085(17) 0.0309(6) Uani 1 1 d . . .
C4 C 0.3322(2) -0.02952(12) 0.40264(18) 0.0389(7) Uani 1 1 d . . .
H7 H 0.3721 0.0066 0.3931 0.047 Uiso 1 1 calc R . .
C5 C 0.3327(3) -0.03103(15) 0.4931(2) 0.0600(10) Uani 1 1 d . . .
H8A H 0.2911 0.0022 0.5071 0.090 Uiso 1 1 calc R . .
H8B H 0.4112 -0.0298 0.5254 0.090 Uiso 1 1 calc R . .
H8C H 0.2964 -0.0665 0.5057 0.090 Uiso 1 1 calc R . .
C6 C 0.3981(3) -0.07927(15) 0.3752(2) 0.0612(10) Uani 1 1 d . . .
H25A H 0.3818 -0.1148 0.4018 0.092 Uiso 1 1 calc R . .
H25B H 0.4795 -0.0712 0.3912 0.092 Uiso 1 1 calc R . .
H25C H 0.3749 -0.0836 0.3153 0.092 Uiso 1 1 calc R . .
C7 C 0.1522(3) -0.12711(11) 0.37758(19) 0.0423(7) Uani 1 1 d . . .
H2A H 0.0821 -0.1495 0.3615 0.063 Uiso 1 1 calc R . .
H2B H 0.1734 -0.1237 0.4377 0.063 Uiso 1 1 calc R . .
H2C H 0.2130 -0.1465 0.3581 0.063 Uiso 1 1 calc R . .
C8 C -0.0697(3) -0.07867(13) 0.2572(2) 0.0488(8) Uani 1 1 d . . .
H1A H -0.0579 -0.1200 0.2662 0.073 Uiso 1 1 calc R . .
H1B H -0.0946 -0.0710 0.1980 0.073 Uiso 1 1 calc R . .
H1C H -0.1279 -0.0654 0.2853 0.073 Uiso 1 1 calc R . .
C9 C -0.0184(2) 0.05108(11) 0.22431(17) 0.0325(6) Uani 1 1 d . . .
H6 H 0.0185 0.0897 0.2327 0.039 Uiso 1 1 calc R . .
C10 C -0.1273(3) 0.05514(15) 0.2550(2) 0.0603(10) Uani 1 1 d . . .
H5A H -0.1765 0.0225 0.2339 0.090 Uiso 1 1 calc R . .
H5B H -0.1665 0.0910 0.2355 0.090 Uiso 1 1 calc R . .
H5C H -0.1091 0.0545 0.3154 0.090 Uiso 1 1 calc R . .
C11 C -0.0399(3) 0.03812(15) 0.1339(2) 0.0604(10) Uani 1 1 d . . .
H29A H 0.0323 0.0372 0.1168 0.091 Uiso 1 1 calc R . .
H29B H -0.0888 0.0679 0.1029 0.091 Uiso 1 1 calc R . .
H29C H -0.0774 0.0007 0.1230 0.091 Uiso 1 1 calc R . .
C12 C 0.2163(3) -0.04454(12) 0.1274(2) 0.0450(8) Uani 1 1 d . . .
H10A H 0.2361 -0.0826 0.1100 0.067 Uiso 1 1 calc R . .
H10B H 0.1459 -0.0314 0.0904 0.067 Uiso 1 1 calc R . .
H10C H 0.2056 -0.0466 0.1838 0.067 Uiso 1 1 calc R . .
C13 C 0.4693(3) -0.02733(13) 0.1782(2) 0.0587(10) Uani 1 1 d . . .
H24A H 0.4743 -0.0265 0.2377 0.088 Uiso 1 1 calc R . .
H24B H 0.5336 -0.0064 0.1658 0.088 Uiso 1 1 calc R . .
H24C H 0.4710 -0.0672 0.1599 0.088 Uiso 1 1 calc R . .
C14 C 0.3384(3) 0.01084(14) 0.0114(2) 0.0514(8) Uani 1 1 d . . .
H11A H 0.3483 -0.0279 -0.0088 0.077 Uiso 1 1 calc R . .
H11B H 0.4021 0.0351 0.0051 0.077 Uiso 1 1 calc R . .
H11C H 0.2673 0.0272 -0.0204 0.077 Uiso 1 1 calc R . .
C15 C 0.5835(2) 0.10029(12) 0.30239(19) 0.0390(7) Uani 1 1 d . . .
H14A H 0.5930 0.0592 0.2934 0.059 Uiso 1 1 calc R . .
H14B H 0.5427 0.1056 0.3464 0.059 Uiso 1 1 calc R . .
H14C H 0.6582 0.1186 0.3183 0.059 Uiso 1 1 calc R . .
C16 C 0.5771(3) 0.11818(14) 0.12085(19) 0.0436(7) Uani 1 1 d . . .
H12A H 0.6523 0.1361 0.1345 0.065 Uiso 1 1 calc R . .
H12B H 0.5336 0.1337 0.0685 0.065 Uiso 1 1 calc R . .
H12C H 0.5853 0.0766 0.1159 0.065 Uiso 1 1 calc R . .
C17 C 0.5118(2) 0.21400(12) 0.21906(19) 0.0399(7) Uani 1 1 d . . .
H13A H 0.4832 0.2249 0.2674 0.060 Uiso 1 1 calc R . .
H13B H 0.4669 0.2331 0.1701 0.060 Uiso 1 1 calc R . .
H13C H 0.5914 0.2256 0.2272 0.060 Uiso 1 1 calc R . .
C18 C 0.3070(3) 0.16707(17) -0.0165(2) 0.0647(10) Uani 1 1 d . . .
H15A H 0.3209 0.1299 -0.0400 0.097 Uiso 1 1 calc R . .
H15B H 0.3795 0.1846 0.0105 0.097 Uiso 1 1 calc R . .
H15C H 0.2668 0.1924 -0.0604 0.097 Uiso 1 1 calc R . .
C19 C 0.1933(3) 0.22989(13) 0.0973(2) 0.0675(12) Uani 1 1 d . . .
H17A H 0.1463 0.2516 0.0517 0.101 Uiso 1 1 calc R . .
H17B H 0.2661 0.2495 0.1165 0.101 Uiso 1 1 calc R . .
H17C H 0.1541 0.2273 0.1426 0.101 Uiso 1 1 calc R . .
C20 C 0.0808(2) 0.12580(12) 0.00176(19) 0.0435(7) Uani 1 1 d . . .
H16A H 0.0222 0.1313 0.0331 0.065 Uiso 1 1 calc R . .
H16B H 0.0900 0.0847 -0.0076 0.065 Uiso 1 1 calc R . .
H16C H 0.0583 0.1455 -0.0514 0.065 Uiso 1 1 calc R . .
C21 C 0.4372(2) 0.21909(12) 0.43030(18) 0.0390(7) Uani 1 1 d . . .
H28A H 0.4499 0.1880 0.3938 0.058 Uiso 1 1 calc R . .
H28B H 0.4434 0.2040 0.4860 0.058 Uiso 1 1 calc R . .
H28C H 0.4943 0.2491 0.4316 0.058 Uiso 1 1 calc R . .
C22 C 0.2987(2) 0.29772(11) 0.30170(17) 0.0365(7) Uani 1 1 d . . .
H23A H 0.2278 0.3194 0.2855 0.055 Uiso 1 1 calc R . .
H23B H 0.3092 0.2742 0.2552 0.055 Uiso 1 1 calc R . .
H23C H 0.3624 0.3245 0.3176 0.055 Uiso 1 1 calc R . .
C23 C 0.2633(3) 0.29931(12) 0.47345(17) 0.0392(7) Uani 1 1 d . . .
H21A H 0.3181 0.3309 0.4820 0.059 Uiso 1 1 calc R . .
H21B H 0.2705 0.2779 0.5250 0.059 Uiso 1 1 calc R . .
H21C H 0.1864 0.3148 0.4563 0.059 Uiso 1 1 calc R . .
C24 C -0.0728(3) 0.20816(16) 0.1846(2) 0.0658(11) Uani 1 1 d . . .
H22A H -0.1523 0.2202 0.1680 0.099 Uiso 1 1 calc R . .
H22B H -0.0668 0.1673 0.1725 0.099 Uiso 1 1 calc R . .
H22C H -0.0273 0.2305 0.1541 0.099 Uiso 1 1 calc R . .
C25 C -0.0146(3) 0.30090(14) 0.3116(3) 0.0681(12) Uani 1 1 d . . .
H27A H -0.0916 0.3165 0.2951 0.102 Uiso 1 1 calc R . .
H27B H 0.0327 0.3177 0.2771 0.102 Uiso 1 1 calc R . .
H27C H 0.0175 0.3103 0.3694 0.102 Uiso 1 1 calc R . .
C26 C -0.1345(3) 0.19725(15) 0.3505(2) 0.0592(10) Uani 1 1 d . . .
H20A H -0.1216 0.2147 0.4053 0.089 Uiso 1 1 calc R . .
H20B H -0.1334 0.1553 0.3558 0.089 Uiso 1 1 calc R . .
H20C H -0.2083 0.2095 0.3176 0.089 Uiso 1 1 calc R . .
C27 C 0.0785(3) 0.19798(14) 0.5469(2) 0.0532(9) Uani 1 1 d . . .
H19A H 0.0941 0.1873 0.6052 0.080 Uiso 1 1 calc R . .
H19B H -0.0037 0.1991 0.5246 0.080 Uiso 1 1 calc R . .
H19C H 0.1108 0.2359 0.5412 0.080 Uiso 1 1 calc R . .
C28 C 0.0575(3) 0.07593(12) 0.48459(19) 0.0418(7) Uani 1 1 d . . .
H18A H 0.0603 0.0626 0.5408 0.063 Uiso 1 1 calc R . .
H18B H 0.0885 0.0462 0.4544 0.063 Uiso 1 1 calc R . .
H18C H -0.0213 0.0838 0.4566 0.063 Uiso 1 1 calc R . .
C29 C 0.2898(3) 0.12848(15) 0.55370(18) 0.0479(8) Uani 1 1 d . . .
H26A H 0.3262 0.1647 0.5748 0.072 Uiso 1 1 calc R . .
H26B H 0.3357 0.1092 0.5203 0.072 Uiso 1 1 calc R . .
H26C H 0.2834 0.1037 0.6000 0.072 Uiso 1 1 calc R . .
Ge1 Ge 0.27238(2) 0.096638(10) 0.316586(15) 0.02102(9) Uani 1 1 d . . .
N1 N 0.06257(17) 0.00951(8) 0.27344(13) 0.0263(5) Uani 1 1 d . . .
N2 N 0.21444(17) -0.02493(8) 0.35195(13) 0.0259(5) Uani 1 1 d . . .
Si1 Si 0.31035(5) 0.10007(3) 0.17520(4) 0.01768(14) Uani 1 1 d . . .
Si2 Si 0.33349(7) 0.00725(3) 0.12320(5) 0.03394(19) Uani 1 1 d . . .
Si3 Si 0.50032(6) 0.13399(3) 0.20461(4) 0.02904(17) Uani 1 1 d . . .
Si4 Si 0.21847(7) 0.15611(3) 0.06123(5) 0.0351(2) Uani 1 1 d . . .
Si5 Si 0.15696(5) 0.17542(3) 0.35604(4) 0.01882(15) Uani 1 1 d . . .
Si6 Si 0.29226(6) 0.24996(3) 0.39111(4) 0.02749(17) Uani 1 1 d . . .
Si7 Si -0.01923(7) 0.22067(3) 0.29822(6) 0.0401(2) Uani 1 1 d . . .
Si8 Si 0.14416(7) 0.14354(3) 0.48840(5) 0.03265(18) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.357(3) . ?
C1 N2 1.366(3) . ?
C1 Ge1 2.088(2) . ?
C2 C3 1.347(4) . ?
C2 N2 1.394(3) . ?
C2 C7 1.493(4) . ?
C3 N1 1.405(3) . ?
C3 C8 1.493(4) . ?
C4 N2 1.487(3) . ?
C4 C5 1.506(4) . ?
C4 C6 1.534(4) . ?
C9 N1 1.485(3) . ?
C9 C11 1.500(4) . ?
C9 C10 1.521(4) . ?
C12 Si2 1.875(3) . ?
C13 Si2 1.873(3) . ?
C14 Si2 1.880(3) . ?
C15 Si3 1.882(3) . ?
C16 Si3 1.880(3) . ?
C17 Si3 1.880(3) . ?
C18 Si4 1.876(4) . ?
C19 Si4 1.868(3) . ?
C20 Si4 1.874(3) . ?
C21 Si6 1.872(3) . ?
C22 Si6 1.875(3) . ?
C23 Si6 1.883(3) . ?
C24 Si7 1.880(4) . ?
C25 Si7 1.881(3) . ?
C26 Si7 1.885(4) . ?
C27 Si8 1.882(3) . ?
C28 Si8 1.885(3) . ?
C29 Si8 1.884(3) . ?
Ge1 Si5 2.4835(8) . ?
Ge1 Si1 2.5021(9) . ?
Si1 Si4 2.3647(10) . ?
Si1 Si2 2.3695(10) . ?
Si1 Si3 2.3756(10) . ?
Si5 Si8 2.3657(11) . ?
Si5 Si6 2.3678(10) . ?
Si5 Si7 2.3789(11) . ?

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
N1 C1 N2 104.7(2) . . ?
N1 C1 Ge1 135.69(17) . . ?
N2 C1 Ge1 119.62(17) . . ?
C3 C2 N2 107.1(2) . . ?
C3 C2 C7 127.8(3) . . ?
N2 C2 C7 125.0(2) . . ?
C2 C3 N1 106.5(2) . . ?
C2 C3 C8 127.6(3) . . ?
N1 C3 C8 125.9(3) . . ?
N2 C4 C5 110.9(3) . . ?
N2 C4 C6 112.4(3) . . ?
C5 C4 C6 113.3(3) . . ?
N1 C9 C11 111.4(2) . . ?
N1 C9 C10 111.7(2) . . ?
C11 C9 C10 112.6(3) . . ?
C1 Ge1 Si5 104.69(7) . . ?
C1 Ge1 Si1 102.35(7) . . ?
Si5 Ge1 Si1 117.39(2) . . ?
C1 N1 C3 110.9(2) . . ?
C1 N1 C9 122.9(2) . . ?
C3 N1 C9 126.2(2) . . ?
C1 N2 C2 110.8(2) . . ?
C1 N2 C4 123.9(2) . . ?
C2 N2 C4 125.3(2) . . ?
Si4 Si1 Si2 106.44(4) . . ?
Si4 Si1 Si3 103.87(4) . . ?
Si2 Si1 Si3 100.94(4) . . ?
Si4 Si1 Ge1 128.38(4) . . ?
Si2 Si1 Ge1 112.17(3) . . ?
Si3 Si1 Ge1 101.07(3) . . ?
C13 Si2 C12 107.02(15) . . ?
C13 Si2 C14 106.47(16) . . ?
C12 Si2 C14 105.02(15) . . ?
C13 Si2 Si1 112.12(12) . . ?
C12 Si2 Si1 114.85(9) . . ?
C14 Si2 Si1 110.78(11) . . ?
C16 Si3 C17 104.74(14) . . ?
C16 Si3 C15 107.68(14) . . ?
C17 Si3 C15 107.03(14) . . ?
C16 Si3 Si1 113.56(10) . . ?
C17 Si3 Si1 113.34(10) . . ?
C15 Si3 Si1 110.08(9) . . ?
C19 Si4 C20 109.04(15) . . ?
C19 Si4 C18 104.92(19) . . ?
C20 Si4 C18 105.36(16) . . ?
C19 Si4 Si1 109.31(11) . . ?
C20 Si4 Si1 114.67(10) . . ?
C18 Si4 Si1 113.03(12) . . ?
Si8 Si5 Si6 100.81(4) . . ?
Si8 Si5 Si7 105.95(4) . . ?
Si6 Si5 Si7 106.37(4) . . ?
Si8 Si5 Ge1 100.05(3) . . ?
Si6 Si5 Ge1 102.00(3) . . ?
Si7 Si5 Ge1 136.62(3) . . ?
C21 Si6 C22 107.51(13) . . ?
C21 Si6 C23 107.13(14) . . ?
C22 Si6 C23 105.37(13) . . ?
C21 Si6 Si5 110.24(9) . . ?
C22 Si6 Si5 112.93(9) . . ?
C23 Si6 Si5 113.28(10) . . ?
C24 Si7 C25 105.50(18) . . ?
C24 Si7 C26 107.32(18) . . ?
C25 Si7 C26 103.78(17) . . ?
C24 Si7 Si5 114.38(12) . . ?
C25 Si7 Si5 113.10(12) . . ?
C26 Si7 Si5 111.96(12) . . ?
C27 Si8 C29 106.05(16) . . ?
C27 Si8 C28 106.45(14) . . ?
C29 Si8 C28 107.76(15) . . ?
C27 Si8 Si5 113.32(12) . . ?
C29 Si8 Si5 110.29(10) . . ?
C28 Si8 Si5 112.59(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C2 C3 N1 -0.4(3) . . . . ?
C7 C2 C3 N1 178.6(2) . . . . ?
N2 C2 C3 C8 176.9(3) . . . . ?
C7 C2 C3 C8 -4.1(5) . . . . ?
N1 C1 Ge1 Si5 51.1(3) . . . . ?
N2 C1 Ge1 Si5 -129.07(17) . . . . ?
N1 C1 Ge1 Si1 -71.9(2) . . . . ?
N2 C1 Ge1 Si1 107.96(18) . . . . ?
N2 C1 N1 C3 -0.3(3) . . . . ?
Ge1 C1 N1 C3 179.6(2) . . . . ?
N2 C1 N1 C9 177.3(2) . . . . ?
Ge1 C1 N1 C9 -2.9(4) . . . . ?
C2 C3 N1 C1 0.4(3) . . . . ?
C8 C3 N1 C1 -176.9(3) . . . . ?
C2 C3 N1 C9 -177.0(2) . . . . ?
C8 C3 N1 C9 5.6(4) . . . . ?
C11 C9 N1 C1 107.9(3) . . . . ?
C10 C9 N1 C1 -125.3(3) . . . . ?
C11 C9 N1 C3 -74.9(3) . . . . ?
C10 C9 N1 C3 51.9(3) . . . . ?
N1 C1 N2 C2 0.0(3) . . . . ?
Ge1 C1 N2 C2 -179.85(16) . . . . ?
N1 C1 N2 C4 -179.7(2) . . . . ?
Ge1 C1 N2 C4 0.5(3) . . . . ?
C3 C2 N2 C1 0.3(3) . . . . ?
C7 C2 N2 C1 -178.8(2) . . . . ?
C3 C2 N2 C4 179.9(2) . . . . ?
C7 C2 N2 C4 0.9(4) . . . . ?
C5 C4 N2 C1 107.8(3) . . . . ?
C6 C4 N2 C1 -124.2(3) . . . . ?
C5 C4 N2 C2 -71.8(3) . . . . ?
C6 C4 N2 C2 56.2(4) . . . . ?
C1 Ge1 Si1 Si4 98.59(8) . . . . ?
Si5 Ge1 Si1 Si4 -15.35(5) . . . . ?
C1 Ge1 Si1 Si2 -36.84(7) . . . . ?
Si5 Ge1 Si1 Si2 -150.78(3) . . . . ?
C1 Ge1 Si1 Si3 -143.61(7) . . . . ?
Si5 Ge1 Si1 Si3 102.45(3) . . . . ?
Si4 Si1 Si2 C13 144.69(13) . . . . ?
Si3 Si1 Si2 C13 36.54(13) . . . . ?
Ge1 Si1 Si2 C13 -70.31(13) . . . . ?
Si4 Si1 Si2 C12 -92.87(13) . . . . ?
Si3 Si1 Si2 C12 158.98(13) . . . . ?
Ge1 Si1 Si2 C12 52.13(13) . . . . ?
Si4 Si1 Si2 C14 25.90(12) . . . . ?
Si3 Si1 Si2 C14 -82.25(12) . . . . ?
Ge1 Si1 Si2 C14 170.90(12) . . . . ?
Si4 Si1 Si3 C16 -65.96(12) . . . . ?
Si2 Si1 Si3 C16 44.19(12) . . . . ?
Ge1 Si1 Si3 C16 159.62(11) . . . . ?
Si4 Si1 Si3 C17 53.41(11) . . . . ?
Si2 Si1 Si3 C17 163.56(11) . . . . ?
Ge1 Si1 Si3 C17 -81.00(11) . . . . ?
Si4 Si1 Si3 C15 173.23(11) . . . . ?
Si2 Si1 Si3 C15 -76.62(11) . . . . ?
Ge1 Si1 Si3 C15 38.81(11) . . . . ?
Si2 Si1 Si4 C19 178.50(15) . . . . ?
Si3 Si1 Si4 C19 -75.44(15) . . . . ?
Ge1 Si1 Si4 C19 41.16(16) . . . . ?
Si2 Si1 Si4 C20 55.73(12) . . . . ?
Si3 Si1 Si4 C20 161.79(12) . . . . ?
Ge1 Si1 Si4 C20 -81.61(12) . . . . ?
Si2 Si1 Si4 C18 -65.06(14) . . . . ?
Si3 Si1 Si4 C18 41.00(14) . . . . ?
Ge1 Si1 Si4 C18 157.60(13) . . . . ?
C1 Ge1 Si5 Si8 63.93(7) . . . . ?
Si1 Ge1 Si5 Si8 176.57(3) . . . . ?
C1 Ge1 Si5 Si6 167.37(7) . . . . ?
Si1 Ge1 Si5 Si6 -79.99(3) . . . . ?
C1 Ge1 Si5 Si7 -62.50(9) . . . . ?
Si1 Ge1 Si5 Si7 50.13(6) . . . . ?
Si8 Si5 Si6 C21 73.83(11) . . . . ?
Si7 Si5 Si6 C21 -175.82(11) . . . . ?
Ge1 Si5 Si6 C21 -29.01(11) . . . . ?
Si8 Si5 Si6 C22 -165.89(10) . . . . ?
Si7 Si5 Si6 C22 -55.54(11) . . . . ?
Ge1 Si5 Si6 C22 91.27(10) . . . . ?
Si8 Si5 Si6 C23 -46.20(11) . . . . ?
Si7 Si5 Si6 C23 64.15(11) . . . . ?
Ge1 Si5 Si6 C23 -149.04(10) . . . . ?
Si8 Si5 Si7 C24 -142.68(15) . . . . ?
Si6 Si5 Si7 C24 110.63(15) . . . . ?
Ge1 Si5 Si7 C24 -18.15(16) . . . . ?
Si8 Si5 Si7 C25 96.51(16) . . . . ?
Si6 Si5 Si7 C25 -10.19(16) . . . . ?
Ge1 Si5 Si7 C25 -138.97(16) . . . . ?
Si8 Si5 Si7 C26 -20.31(13) . . . . ?
Si6 Si5 Si7 C26 -127.01(12) . . . . ?
Ge1 Si5 Si7 C26 104.21(13) . . . . ?
Si6 Si5 Si8 C27 67.41(13) . . . . ?
Si7 Si5 Si8 C27 -43.26(13) . . . . ?
Ge1 Si5 Si8 C27 171.82(12) . . . . ?
Si6 Si5 Si8 C29 -51.30(12) . . . . ?
Si7 Si5 Si8 C29 -161.97(12) . . . . ?
Ge1 Si5 Si8 C29 53.11(12) . . . . ?
Si6 Si5 Si8 C28 -171.70(11) . . . . ?
Si7 Si5 Si8 C28 77.63(11) . . . . ?
Ge1 Si5 Si8 C28 -67.29(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.846
_refine_diff_density_min         -0.300
_refine_diff_density_rms         0.077

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.180 0.323 0.951 12 0 ' '
2 0.190 0.582 0.682 13 0 ' '
3 0.200 0.192 0.786 7 0 ' '
4 0.250 0.008 0.643 7 0 ' '
5 0.250 0.508 0.857 7 0 ' '
6 0.319 0.823 0.549 12 0 ' '
7 0.300 0.692 0.714 7 0 ' '
8 0.310 0.082 0.817 13 0 ' '
9 0.680 0.177 0.451 12 0 ' '
10 0.690 0.918 0.182 13 0 ' '
11 0.700 0.308 0.286 7 0 ' '
12 0.750 0.492 0.143 7 0 ' '
13 0.750 0.992 0.357 7 0 ' '
14 0.819 0.677 0.049 12 0 ' '
15 0.800 0.808 0.214 7 0 ' '
16 0.810 0.418 0.317 13 0 ' '
_platon_squeeze_details          
;
;

_database_code_depnum_ccdc_archive 'CCDC 976691'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_977j

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H64 Ge Si8'
_chemical_formula_weight         746.14

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'
Si Si 0.0817 0.0704 '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)/c

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

_cell_length_a                   13.326(3)
_cell_length_b                   18.718(4)
_cell_length_c                   18.391(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.16(3)
_cell_angle_gamma                90.00
_cell_volume                     4484.4(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    12506
_cell_measurement_theta_min      4.519
_cell_measurement_theta_max      52.504

_exptl_crystal_description       plates
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.105
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1600
_exptl_absorpt_coefficient_mu    0.916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7707
_exptl_absorpt_correction_T_max  0.8980
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SMART APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            35111
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_sigmaI/netI    0.0402
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.56
_diffrn_reflns_theta_max         26.36
_reflns_number_total             9152
_reflns_number_gt                7624
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0440P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9152
_refine_ls_number_parameters     388
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0337
_refine_ls_wR_factor_ref         0.0818
_refine_ls_wR_factor_gt          0.0786
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.59847(17) -0.04988(12) 0.92593(12) 0.0314(5) Uani 1 1 d . . .
H1A H 0.5747 -0.0965 0.9397 0.047 Uiso 1 1 calc R . .
H1B H 0.5949 -0.0151 0.9651 0.047 Uiso 1 1 calc R . .
H1C H 0.6696 -0.0539 0.9198 0.047 Uiso 1 1 calc R . .
C2 C 0.49320(17) -0.09519(11) 0.76807(13) 0.0314(5) Uani 1 1 d . . .
H2A H 0.5591 -0.1174 0.7659 0.047 Uiso 1 1 calc R . .
H2B H 0.4609 -0.0769 0.7187 0.047 Uiso 1 1 calc R . .
H2C H 0.4482 -0.1308 0.7838 0.047 Uiso 1 1 calc R . .
C3 C 0.38453(16) 0.00252(12) 0.85441(13) 0.0297(5) Uani 1 1 d . . .
H3A H 0.3582 -0.0385 0.8777 0.045 Uiso 1 1 calc R . .
H3B H 0.3375 0.0137 0.8072 0.045 Uiso 1 1 calc R . .
H3C H 0.3900 0.0439 0.8876 0.045 Uiso 1 1 calc R . .
C4 C 0.39488(16) 0.06639(12) 0.62983(12) 0.0298(5) Uani 1 1 d . . .
H4A H 0.3420 0.0891 0.5917 0.045 Uiso 1 1 calc R . .
H4B H 0.3637 0.0286 0.6546 0.045 Uiso 1 1 calc R . .
H4C H 0.4478 0.0457 0.6065 0.045 Uiso 1 1 calc R . .
C5 C 0.35484(16) 0.17318(12) 0.74732(12) 0.0306(5) Uani 1 1 d . . .
H5A H 0.3844 0.2129 0.7795 0.046 Uiso 1 1 calc R . .
H5B H 0.3314 0.1361 0.7774 0.046 Uiso 1 1 calc R . .
H5C H 0.2966 0.1905 0.7097 0.046 Uiso 1 1 calc R . .
C6 C 0.50292(17) 0.21046(11) 0.65027(11) 0.0279(5) Uani 1 1 d . . .
H6A H 0.5558 0.1927 0.6251 0.042 Uiso 1 1 calc R . .
H6B H 0.5322 0.2475 0.6861 0.042 Uiso 1 1 calc R . .
H6C H 0.4460 0.2306 0.6135 0.042 Uiso 1 1 calc R . .
C7 C 0.55701(18) 0.15599(12) 0.95877(12) 0.0327(5) Uani 1 1 d . . .
H7A H 0.5596 0.1080 0.9803 0.049 Uiso 1 1 calc R . .
H7B H 0.4865 0.1668 0.9331 0.049 Uiso 1 1 calc R . .
H7C H 0.5796 0.1910 0.9985 0.049 Uiso 1 1 calc R . .
C8 C 0.64426(17) 0.25544(10) 0.85918(12) 0.0282(5) Uani 1 1 d . . .
H8A H 0.5735 0.2721 0.8422 0.042 Uiso 1 1 calc R . .
H8B H 0.6806 0.2587 0.8182 0.042 Uiso 1 1 calc R . .
H8C H 0.6791 0.2853 0.9006 0.042 Uiso 1 1 calc R . .
C9 C 0.77480(16) 0.13089(12) 0.94067(12) 0.0299(5) Uani 1 1 d . . .
H9A H 0.8029 0.1659 0.9792 0.045 Uiso 1 1 calc R . .
H9B H 0.8199 0.1274 0.9051 0.045 Uiso 1 1 calc R . .
H9C H 0.7701 0.0842 0.9637 0.045 Uiso 1 1 calc R . .
C10 C 1.01246(17) -0.05620(11) 0.73358(13) 0.0302(5) Uani 1 1 d . . .
H10A H 1.0818 -0.0764 0.7450 0.045 Uiso 1 1 calc R . .
H10B H 0.9752 -0.0745 0.6855 0.045 Uiso 1 1 calc R . .
H10C H 0.9760 -0.0698 0.7725 0.045 Uiso 1 1 calc R . .
C11 C 1.10300(16) 0.06432(13) 0.66042(12) 0.0315(5) Uani 1 1 d . . .
H11A H 1.1097 0.1162 0.6562 0.047 Uiso 1 1 calc R . .
H11B H 1.0710 0.0444 0.6118 0.047 Uiso 1 1 calc R . .
H11C H 1.1711 0.0431 0.6775 0.047 Uiso 1 1 calc R . .
C12 C 1.08833(16) 0.07737(13) 0.82244(12) 0.0317(5) Uani 1 1 d . . .
H12A H 1.0434 0.0720 0.8580 0.048 Uiso 1 1 calc R . .
H12B H 1.1056 0.1279 0.8185 0.048 Uiso 1 1 calc R . .
H12C H 1.1514 0.0498 0.8397 0.048 Uiso 1 1 calc R . .
C13 C 0.84058(16) -0.01587(12) 0.53820(11) 0.0281(5) Uani 1 1 d . . .
H13A H 0.8148 -0.0248 0.4850 0.042 Uiso 1 1 calc R . .
H13B H 0.8083 -0.0493 0.5673 0.042 Uiso 1 1 calc R . .
H13C H 0.9152 -0.0226 0.5505 0.042 Uiso 1 1 calc R . .
C14 C 0.87657(17) 0.13945(12) 0.50600(12) 0.0327(5) Uani 1 1 d . . .
H14A H 0.9510 0.1341 0.5230 0.049 Uiso 1 1 calc R . .
H14B H 0.8571 0.1890 0.5134 0.049 Uiso 1 1 calc R . .
H14C H 0.8569 0.1274 0.4531 0.049 Uiso 1 1 calc R . .
C15 C 0.66749(16) 0.09250(12) 0.52852(12) 0.0318(5) Uani 1 1 d . . .
H15A H 0.6471 0.0810 0.4755 0.048 Uiso 1 1 calc R . .
H15B H 0.6510 0.1426 0.5364 0.048 Uiso 1 1 calc R . .
H15C H 0.6304 0.0615 0.5569 0.048 Uiso 1 1 calc R . .
C16 C 0.77353(17) 0.27784(12) 0.66498(13) 0.0352(5) Uani 1 1 d . . .
H16A H 0.7905 0.3286 0.6725 0.053 Uiso 1 1 calc R . .
H16B H 0.7131 0.2668 0.6855 0.053 Uiso 1 1 calc R . .
H16C H 0.7588 0.2670 0.6117 0.053 Uiso 1 1 calc R . .
C17 C 0.91428(17) 0.24357(11) 0.81539(12) 0.0306(5) Uani 1 1 d . . .
H17A H 0.9749 0.2166 0.8401 0.046 Uiso 1 1 calc R . .
H17B H 0.8555 0.2303 0.8368 0.046 Uiso 1 1 calc R . .
H17C H 0.9277 0.2948 0.8225 0.046 Uiso 1 1 calc R . .
C18 C 0.99983(17) 0.24990(12) 0.67648(12) 0.0307(5) Uani 1 1 d . . .
H18A H 1.0066 0.3020 0.6787 0.046 Uiso 1 1 calc R . .
H18B H 0.9913 0.2340 0.6248 0.046 Uiso 1 1 calc R . .
H18C H 1.0616 0.2280 0.7066 0.046 Uiso 1 1 calc R . .
C19 C 0.72793(14) -0.06118(10) 0.72054(11) 0.0176(4) Uani 1 1 d . . .
C20 C 0.77698(14) -0.05218(10) 0.79029(10) 0.0165(4) Uani 1 1 d . . .
C21 C 0.82294(14) -0.09494(10) 0.85551(10) 0.0184(4) Uani 1 1 d . . .
C22 C 0.78605(15) -0.16315(10) 0.86528(11) 0.0217(4) Uani 1 1 d . . .
H22 H 0.7320 -0.1825 0.8285 0.026 Uiso 1 1 calc R . .
C23 C 0.82705(17) -0.20311(12) 0.92790(12) 0.0289(5) Uani 1 1 d . . .
H23 H 0.8005 -0.2493 0.9343 0.035 Uiso 1 1 calc R . .
C24 C 0.90687(18) -0.17548(13) 0.98115(11) 0.0339(6) Uani 1 1 d . . .
H24 H 0.9361 -0.2031 1.0236 0.041 Uiso 1 1 calc R . .
C25 C 0.94388(17) -0.10809(13) 0.97262(11) 0.0324(5) Uani 1 1 d . . .
H25 H 0.9986 -0.0894 1.0093 0.039 Uiso 1 1 calc R . .
C26 C 0.90154(15) -0.06719(11) 0.91053(11) 0.0245(5) Uani 1 1 d . . .
H26 H 0.9263 -0.0202 0.9056 0.029 Uiso 1 1 calc R . .
C27 C 0.70559(14) -0.11792(10) 0.66468(10) 0.0167(4) Uani 1 1 d . . .
C28 C 0.61997(15) -0.11404(11) 0.60611(11) 0.0224(4) Uani 1 1 d . . .
H28 H 0.5742 -0.0747 0.6032 0.027 Uiso 1 1 calc R . .
C29 C 0.60102(16) -0.16673(11) 0.55226(11) 0.0255(5) Uani 1 1 d . . .
H29 H 0.5416 -0.1640 0.5134 0.031 Uiso 1 1 calc R . .
C30 C 0.66831(16) -0.22344(11) 0.55474(11) 0.0242(5) Uani 1 1 d . . .
H30 H 0.6555 -0.2594 0.5175 0.029 Uiso 1 1 calc R . .
C31 C 0.75452(16) -0.22747(11) 0.61199(11) 0.0240(4) Uani 1 1 d . . .
H31 H 0.8014 -0.2660 0.6136 0.029 Uiso 1 1 calc R . .
C32 C 0.77233(15) -0.17536(10) 0.66681(11) 0.0209(4) Uani 1 1 d . . .
H32 H 0.8309 -0.1790 0.7063 0.025 Uiso 1 1 calc R . .
Ge1 Ge 0.732427(15) 0.041189(10) 0.745506(10) 0.01495(6) Uani 1 1 d . . .
Si1 Si 0.58538(4) 0.08239(3) 0.79009(3) 0.01607(12) Uani 1 1 d . . .
Si2 Si 0.51498(4) -0.01956(3) 0.83647(3) 0.02170(13) Uani 1 1 d . . .
Si3 Si 0.45461(4) 0.13506(3) 0.70022(3) 0.01934(12) Uani 1 1 d . . .
Si4 Si 0.64348(4) 0.16013(3) 0.89087(3) 0.01969(13) Uani 1 1 d . . .
Si5 Si 0.85911(4) 0.09945(3) 0.68996(3) 0.01697(12) Uani 1 1 d . . .
Si6 Si 1.02074(4) 0.04368(3) 0.72914(3) 0.02074(13) Uani 1 1 d . . .
Si7 Si 0.80904(4) 0.07808(3) 0.56075(3) 0.02116(13) Uani 1 1 d . . .
Si8 Si 0.88502(4) 0.22246(3) 0.71350(3) 0.02121(13) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 Si2 1.870(2) . ?
C2 Si2 1.875(2) . ?
C3 Si2 1.882(2) . ?
C4 Si3 1.878(2) . ?
C5 Si3 1.874(2) . ?
C6 Si3 1.870(2) . ?
C7 Si4 1.871(2) . ?
C8 Si4 1.878(2) . ?
C9 Si4 1.878(2) . ?
C10 Si6 1.875(2) . ?
C11 Si6 1.879(2) . ?
C12 Si6 1.871(2) . ?
C13 Si7 1.875(2) . ?
C14 Si7 1.877(2) . ?
C15 Si7 1.874(2) . ?
C16 Si8 1.876(2) . ?
C17 Si8 1.874(2) . ?
C18 Si8 1.873(2) . ?
C19 C20 1.322(3) . ?
C19 C27 1.464(3) . ?
C19 Ge1 1.9684(19) . ?
C20 C21 1.465(3) . ?
C20 Ge1 1.9695(18) . ?
C21 C22 1.393(3) . ?
C21 C26 1.394(3) . ?
C22 C23 1.385(3) . ?
C23 C24 1.385(3) . ?
C24 C25 1.375(3) . ?
C25 C26 1.392(3) . ?
C27 C32 1.391(3) . ?
C27 C28 1.396(3) . ?
C28 C29 1.383(3) . ?
C29 C30 1.384(3) . ?
C30 C31 1.387(3) . ?
C31 C32 1.387(3) . ?
Ge1 Si1 2.4049(7) . ?
Ge1 Si5 2.4102(7) . ?
Si1 Si3 2.3510(10) . ?
Si1 Si4 2.3553(8) . ?
Si1 Si2 2.3636(8) . ?
Si5 Si8 2.3547(9) . ?
Si5 Si7 2.3631(9) . ?
Si5 Si6 2.3653(9) . ?

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
C20 C19 C27 139.40(18) . . ?
C20 C19 Ge1 70.43(11) . . ?
C27 C19 Ge1 149.50(14) . . ?
C19 C20 C21 139.55(18) . . ?
C19 C20 Ge1 70.34(11) . . ?
C21 C20 Ge1 149.84(14) . . ?
C22 C21 C26 118.65(18) . . ?
C22 C21 C20 120.55(17) . . ?
C26 C21 C20 120.75(18) . . ?
C23 C22 C21 120.92(19) . . ?
C24 C23 C22 119.7(2) . . ?
C25 C24 C23 120.14(19) . . ?
C24 C25 C26 120.3(2) . . ?
C25 C26 C21 120.2(2) . . ?
C32 C27 C28 118.40(17) . . ?
C32 C27 C19 120.46(16) . . ?
C28 C27 C19 121.06(17) . . ?
C29 C28 C27 120.78(19) . . ?
C28 C29 C30 120.27(19) . . ?
C29 C30 C31 119.60(18) . . ?
C32 C31 C30 120.06(19) . . ?
C31 C32 C27 120.86(18) . . ?
C19 Ge1 C20 39.24(8) . . ?
C19 Ge1 Si1 113.88(6) . . ?
C20 Ge1 Si1 109.73(6) . . ?
C19 Ge1 Si5 109.34(6) . . ?
C20 Ge1 Si5 113.73(6) . . ?
Si1 Ge1 Si5 133.88(2) . . ?
Si3 Si1 Si4 111.49(3) . . ?
Si3 Si1 Si2 107.49(3) . . ?
Si4 Si1 Si2 107.73(3) . . ?
Si3 Si1 Ge1 115.55(3) . . ?
Si4 Si1 Ge1 108.06(3) . . ?
Si2 Si1 Ge1 106.14(3) . . ?
C1 Si2 C2 109.91(11) . . ?
C1 Si2 C3 108.22(10) . . ?
C2 Si2 C3 105.38(10) . . ?
C1 Si2 Si1 110.78(8) . . ?
C2 Si2 Si1 112.61(8) . . ?
C3 Si2 Si1 109.72(7) . . ?
C6 Si3 C5 106.91(10) . . ?
C6 Si3 C4 108.52(10) . . ?
C5 Si3 C4 109.89(10) . . ?
C6 Si3 Si1 112.38(7) . . ?
C5 Si3 Si1 109.12(7) . . ?
C4 Si3 Si1 109.96(7) . . ?
C7 Si4 C8 106.92(10) . . ?
C7 Si4 C9 107.70(10) . . ?
C8 Si4 C9 111.28(10) . . ?
C7 Si4 Si1 110.68(8) . . ?
C8 Si4 Si1 111.41(7) . . ?
C9 Si4 Si1 108.78(7) . . ?
Si8 Si5 Si7 110.47(3) . . ?
Si8 Si5 Si6 106.66(3) . . ?
Si7 Si5 Si6 106.13(4) . . ?
Si8 Si5 Ge1 116.95(3) . . ?
Si7 Si5 Ge1 105.97(3) . . ?
Si6 Si5 Ge1 110.20(3) . . ?
C12 Si6 C10 108.50(10) . . ?
C12 Si6 C11 108.13(10) . . ?
C10 Si6 C11 106.39(10) . . ?
C12 Si6 Si5 111.23(8) . . ?
C10 Si6 Si5 113.27(7) . . ?
C11 Si6 Si5 109.09(8) . . ?
C15 Si7 C13 108.83(10) . . ?
C15 Si7 C14 107.84(10) . . ?
C13 Si7 C14 107.47(10) . . ?
C15 Si7 Si5 110.24(8) . . ?
C13 Si7 Si5 110.63(7) . . ?
C14 Si7 Si5 111.72(7) . . ?
C18 Si8 C17 106.97(10) . . ?
C18 Si8 C16 107.53(11) . . ?
C17 Si8 C16 109.65(11) . . ?
C18 Si8 Si5 107.50(7) . . ?
C17 Si8 Si5 112.43(7) . . ?
C16 Si8 Si5 112.46(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C27 C19 C20 C21 -13.0(5) . . . . ?
Ge1 C19 C20 C21 174.9(3) . . . . ?
C27 C19 C20 Ge1 172.0(3) . . . . ?
C19 C20 C21 C22 -27.8(4) . . . . ?
Ge1 C20 C21 C22 142.7(2) . . . . ?
C19 C20 C21 C26 154.9(2) . . . . ?
Ge1 C20 C21 C26 -34.7(4) . . . . ?
C26 C21 C22 C23 -0.7(3) . . . . ?
C20 C21 C22 C23 -178.07(18) . . . . ?
C21 C22 C23 C24 -1.0(3) . . . . ?
C22 C23 C24 C25 1.3(3) . . . . ?
C23 C24 C25 C26 0.0(3) . . . . ?
C24 C25 C26 C21 -1.6(3) . . . . ?
C22 C21 C26 C25 1.9(3) . . . . ?
C20 C21 C26 C25 179.35(19) . . . . ?
C20 C19 C27 C32 -27.8(4) . . . . ?
Ge1 C19 C27 C32 137.3(2) . . . . ?
C20 C19 C27 C28 155.4(2) . . . . ?
Ge1 C19 C27 C28 -39.5(4) . . . . ?
C32 C27 C28 C29 1.2(3) . . . . ?
C19 C27 C28 C29 178.01(18) . . . . ?
C27 C28 C29 C30 -1.5(3) . . . . ?
C28 C29 C30 C31 0.6(3) . . . . ?
C29 C30 C31 C32 0.8(3) . . . . ?
C30 C31 C32 C27 -1.1(3) . . . . ?
C28 C27 C32 C31 0.2(3) . . . . ?
C19 C27 C32 C31 -176.69(18) . . . . ?
C27 C19 Ge1 C20 -169.8(3) . . . . ?
C20 C19 Ge1 Si1 -92.38(11) . . . . ?
C27 C19 Ge1 Si1 97.8(3) . . . . ?
C20 C19 Ge1 Si5 104.14(11) . . . . ?
C27 C19 Ge1 Si5 -65.6(3) . . . . ?
C21 C20 Ge1 C19 -173.4(3) . . . . ?
C19 C20 Ge1 Si1 103.93(11) . . . . ?
C21 C20 Ge1 Si1 -69.5(3) . . . . ?
C19 C20 Ge1 Si5 -91.94(11) . . . . ?
C21 C20 Ge1 Si5 94.6(3) . . . . ?
C19 Ge1 Si1 Si3 -96.12(7) . . . . ?
C20 Ge1 Si1 Si3 -138.29(6) . . . . ?
Si5 Ge1 Si1 Si3 62.02(4) . . . . ?
C19 Ge1 Si1 Si4 138.22(6) . . . . ?
C20 Ge1 Si1 Si4 96.05(6) . . . . ?
Si5 Ge1 Si1 Si4 -63.63(4) . . . . ?
C19 Ge1 Si1 Si2 22.90(7) . . . . ?
C20 Ge1 Si1 Si2 -19.28(6) . . . . ?
Si5 Ge1 Si1 Si2 -178.96(2) . . . . ?
Si3 Si1 Si2 C1 -163.47(8) . . . . ?
Si4 Si1 Si2 C1 -43.21(8) . . . . ?
Ge1 Si1 Si2 C1 72.34(8) . . . . ?
Si3 Si1 Si2 C2 72.98(9) . . . . ?
Si4 Si1 Si2 C2 -166.76(8) . . . . ?
Ge1 Si1 Si2 C2 -51.20(9) . . . . ?
Si3 Si1 Si2 C3 -44.05(8) . . . . ?
Si4 Si1 Si2 C3 76.21(8) . . . . ?
Ge1 Si1 Si2 C3 -168.24(8) . . . . ?
Si4 Si1 Si3 C6 68.94(8) . . . . ?
Si2 Si1 Si3 C6 -173.22(8) . . . . ?
Ge1 Si1 Si3 C6 -54.94(8) . . . . ?
Si4 Si1 Si3 C5 -49.47(8) . . . . ?
Si2 Si1 Si3 C5 68.38(8) . . . . ?
Ge1 Si1 Si3 C5 -173.35(8) . . . . ?
Si4 Si1 Si3 C4 -170.07(8) . . . . ?
Si2 Si1 Si3 C4 -52.22(9) . . . . ?
Ge1 Si1 Si3 C4 66.05(8) . . . . ?
Si3 Si1 Si4 C7 82.59(8) . . . . ?
Si2 Si1 Si4 C7 -35.11(8) . . . . ?
Ge1 Si1 Si4 C7 -149.39(8) . . . . ?
Si3 Si1 Si4 C8 -36.24(8) . . . . ?
Si2 Si1 Si4 C8 -153.94(8) . . . . ?
Ge1 Si1 Si4 C8 91.78(8) . . . . ?
Si3 Si1 Si4 C9 -159.27(8) . . . . ?
Si2 Si1 Si4 C9 83.03(8) . . . . ?
Ge1 Si1 Si4 C9 -31.25(8) . . . . ?
C19 Ge1 Si5 Si8 -178.24(6) . . . . ?
C20 Ge1 Si5 Si8 -136.18(6) . . . . ?
Si1 Ge1 Si5 Si8 22.90(4) . . . . ?
C19 Ge1 Si5 Si7 58.15(6) . . . . ?
C20 Ge1 Si5 Si7 100.21(7) . . . . ?
Si1 Ge1 Si5 Si7 -100.71(3) . . . . ?
C19 Ge1 Si5 Si6 -56.25(6) . . . . ?
C20 Ge1 Si5 Si6 -14.19(6) . . . . ?
Si1 Ge1 Si5 Si6 144.89(3) . . . . ?
Si8 Si5 Si6 C12 45.54(9) . . . . ?
Si7 Si5 Si6 C12 163.35(8) . . . . ?
Ge1 Si5 Si6 C12 -82.35(9) . . . . ?
Si8 Si5 Si6 C10 168.06(8) . . . . ?
Si7 Si5 Si6 C10 -74.13(9) . . . . ?
Ge1 Si5 Si6 C10 40.17(8) . . . . ?
Si8 Si5 Si6 C11 -73.65(8) . . . . ?
Si7 Si5 Si6 C11 44.16(8) . . . . ?
Ge1 Si5 Si6 C11 158.46(8) . . . . ?
Si8 Si5 Si7 C15 -83.15(8) . . . . ?
Si6 Si5 Si7 C15 161.60(8) . . . . ?
Ge1 Si5 Si7 C15 44.43(8) . . . . ?
Si8 Si5 Si7 C13 156.43(8) . . . . ?
Si6 Si5 Si7 C13 41.18(8) . . . . ?
Ge1 Si5 Si7 C13 -75.99(8) . . . . ?
Si8 Si5 Si7 C14 36.75(9) . . . . ?
Si6 Si5 Si7 C14 -78.50(9) . . . . ?
Ge1 Si5 Si7 C14 164.33(8) . . . . ?
Si7 Si5 Si8 C18 -67.27(8) . . . . ?
Si6 Si5 Si8 C18 47.64(8) . . . . ?
Ge1 Si5 Si8 C18 171.45(8) . . . . ?
Si7 Si5 Si8 C17 175.26(8) . . . . ?
Si6 Si5 Si8 C17 -69.83(9) . . . . ?
Ge1 Si5 Si8 C17 53.98(9) . . . . ?
Si7 Si5 Si8 C16 50.90(9) . . . . ?
Si6 Si5 Si8 C16 165.81(9) . . . . ?
Ge1 Si5 Si8 C16 -70.37(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.36
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.669
_refine_diff_density_min         -0.243
_refine_diff_density_rms         0.066

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.072 0.162 0.454 19 0 ' '
2 0.072 0.338 0.954 19 0 ' '
3 0.174 0.546 0.420 33 0 ' '
4 0.174 0.954 0.920 32 0 ' '
5 0.244 0.587 0.177 39 0 ' '
6 0.244 0.913 0.677 39 0 ' '
7 0.278 0.380 0.438 10 0 ' '
8 0.277 0.120 0.938 10 0 ' '
9 0.755 0.087 0.323 39 0 ' '
10 0.755 0.413 0.823 39 0 ' '
11 0.723 0.882 0.061 10 0 ' '
12 0.723 0.618 0.561 10 0 ' '
13 0.827 0.047 0.080 32 0 ' '
14 0.827 0.453 0.580 32 0 ' '
15 0.928 0.662 0.046 19 0 ' '
16 0.928 0.838 0.546 19 0 ' '
_platon_squeeze_details          
;
;

_database_code_depnum_ccdc_archive 'CCDC 969564'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_976j

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H69 Ge P Si8'
_chemical_formula_weight         746.12

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'
Si Si 0.0817 0.0704 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pbca

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

_cell_length_a                   25.174(5)
_cell_length_b                   14.054(3)
_cell_length_c                   25.198(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     8915(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    22312
_cell_measurement_theta_min      4.564
_cell_measurement_theta_max      52.509

_exptl_crystal_description       plates
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.112
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3216
_exptl_absorpt_coefficient_mu    0.955
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7248
_exptl_absorpt_correction_T_max  0.9275
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SMART APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            65992
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.62
_diffrn_reflns_theta_max         26.35
_reflns_number_total             9077
_reflns_number_gt                7690
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0575P)²+3.1641P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9077
_refine_ls_number_parameters     373
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_ref         0.1004
_refine_ls_wR_factor_gt          0.0965
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.23417(10) 0.10438(18) 0.07821(10) 0.0356(6) Uani 1 1 d . . .
H1A H 0.2342 0.1622 0.0999 0.053 Uiso 1 1 calc R . .
H1B H 0.2108 0.1135 0.0475 0.053 Uiso 1 1 calc R . .
H1C H 0.2703 0.0910 0.0659 0.053 Uiso 1 1 calc R . .
C2 C 0.21160(11) -0.10886(18) 0.07658(11) 0.0399(6) Uani 1 1 d . . .
H2A H 0.2481 -0.1200 0.0647 0.060 Uiso 1 1 calc R . .
H2B H 0.1885 -0.1003 0.0456 0.060 Uiso 1 1 calc R . .
H2C H 0.1993 -0.1636 0.0973 0.060 Uiso 1 1 calc R . .
C3 C 0.25888(9) -0.01606(19) 0.17376(11) 0.0366(6) Uani 1 1 d . . .
H3A H 0.2936 -0.0314 0.1584 0.055 Uiso 1 1 calc R . .
H3B H 0.2473 -0.0684 0.1967 0.055 Uiso 1 1 calc R . .
H3C H 0.2616 0.0425 0.1947 0.055 Uiso 1 1 calc R . .
C4 C 0.09950(11) 0.0490(2) 0.01831(10) 0.0388(6) Uani 1 1 d . . .
H4A H 0.1295 0.0059 0.0120 0.058 Uiso 1 1 calc R . .
H4B H 0.1126 0.1143 0.0217 0.058 Uiso 1 1 calc R . .
H4C H 0.0746 0.0452 -0.0115 0.058 Uiso 1 1 calc R . .
C5 C 0.04028(13) -0.1115(2) 0.07200(12) 0.0491(8) Uani 1 1 d . . .
H5A H 0.0215 -0.1166 0.0380 0.074 Uiso 1 1 calc R . .
H5B H 0.0160 -0.1280 0.1010 0.074 Uiso 1 1 calc R . .
H5C H 0.0706 -0.1553 0.0722 0.074 Uiso 1 1 calc R . .
C6 C 0.00445(10) 0.0938(2) 0.08656(11) 0.0433(7) Uani 1 1 d . . .
H6A H -0.0224 0.0737 0.0608 0.065 Uiso 1 1 calc R . .
H6B H 0.0149 0.1596 0.0793 0.065 Uiso 1 1 calc R . .
H6C H -0.0103 0.0895 0.1225 0.065 Uiso 1 1 calc R . .
C7 C 0.12013(10) 0.27207(17) 0.10918(10) 0.0326(6) Uani 1 1 d . . .
H7A H 0.1198 0.3394 0.1193 0.049 Uiso 1 1 calc R . .
H7B H 0.0883 0.2576 0.0882 0.049 Uiso 1 1 calc R . .
H7C H 0.1519 0.2588 0.0880 0.049 Uiso 1 1 calc R . .
C8 C 0.17947(9) 0.23359(16) 0.21148(10) 0.0299(5) Uani 1 1 d . . .
H8A H 0.2120 0.2254 0.1907 0.045 Uiso 1 1 calc R . .
H8B H 0.1814 0.1943 0.2436 0.045 Uiso 1 1 calc R . .
H8C H 0.1756 0.3006 0.2215 0.045 Uiso 1 1 calc R . .
C9 C 0.05917(9) 0.22229(16) 0.21001(10) 0.0283(5) Uani 1 1 d . . .
H9A H 0.0588 0.1830 0.2421 0.043 Uiso 1 1 calc R . .
H9B H 0.0278 0.2079 0.1885 0.043 Uiso 1 1 calc R . .
H9C H 0.0588 0.2897 0.2200 0.043 Uiso 1 1 calc R . .
C10 C 0.04957(10) -0.24458(17) 0.19854(11) 0.0347(6) Uani 1 1 d . . .
H10A H 0.0538 -0.2326 0.1605 0.052 Uiso 1 1 calc R . .
H10B H 0.0171 -0.2135 0.2112 0.052 Uiso 1 1 calc R . .
H10C H 0.0471 -0.3133 0.2048 0.052 Uiso 1 1 calc R . .
C11 C 0.16214(10) -0.26308(17) 0.20699(12) 0.0405(7) Uani 1 1 d . . .
H11A H 0.1942 -0.2480 0.2273 0.061 Uiso 1 1 calc R . .
H11B H 0.1674 -0.2453 0.1698 0.061 Uiso 1 1 calc R . .
H11C H 0.1549 -0.3315 0.2093 0.061 Uiso 1 1 calc R . .
C12 C 0.09879(10) -0.24399(17) 0.30043(10) 0.0348(6) Uani 1 1 d . . .
H12A H 0.0914 -0.3124 0.2987 0.052 Uiso 1 1 calc R . .
H12B H 0.0693 -0.2115 0.3182 0.052 Uiso 1 1 calc R . .
H12C H 0.1316 -0.2334 0.3204 0.052 Uiso 1 1 calc R . .
C13 C 0.06332(8) -0.00603(13) 0.28991(9) 0.0183(4) Uani 1 1 d . . .
C14 C 0.07550(8) 0.01648(15) 0.34043(9) 0.0229(5) Uani 1 1 d . . .
H14 H 0.0445 0.0341 0.3595 0.027 Uiso 1 1 calc R . .
C15 C 0.00601(8) -0.01003(13) 0.27381(9) 0.0210(5) Uani 1 1 d . . .
C16 C -0.00882(9) -0.01254(16) 0.22055(11) 0.0284(5) Uani 1 1 d . . .
H16 H 0.0179 -0.0116 0.1940 0.034 Uiso 1 1 calc R . .
C17 C -0.06196(10) -0.01639(17) 0.20545(11) 0.0347(6) Uani 1 1 d . . .
H17 H -0.0709 -0.0179 0.1688 0.042 Uiso 1 1 calc R . .
C18 C -0.10166(10) -0.01808(16) 0.24284(12) 0.0356(6) Uani 1 1 d . . .
H18 H -0.1379 -0.0198 0.2324 0.043 Uiso 1 1 calc R . .
C19 C -0.08799(9) -0.01730(16) 0.29560(12) 0.0349(6) Uani 1 1 d . . .
H19 H -0.1151 -0.0188 0.3218 0.042 Uiso 1 1 calc R . .
C20 C -0.03523(9) -0.01431(15) 0.31117(11) 0.0296(5) Uani 1 1 d . . .
H20 H -0.0268 -0.0152 0.3479 0.035 Uiso 1 1 calc R . .
C21 C 0.25547(9) 0.09236(16) 0.32114(10) 0.0280(5) Uani 1 1 d . . .
H21A H 0.2942 0.0854 0.3205 0.042 Uiso 1 1 calc R . .
H21B H 0.2462 0.1548 0.3357 0.042 Uiso 1 1 calc R . .
H21C H 0.2415 0.0869 0.2850 0.042 Uiso 1 1 calc R . .
C22 C 0.24177(9) -0.12196(16) 0.33415(10) 0.0305(5) Uani 1 1 d . . .
H22A H 0.2260 -0.1265 0.2987 0.046 Uiso 1 1 calc R . .
H22B H 0.2273 -0.1723 0.3569 0.046 Uiso 1 1 calc R . .
H22C H 0.2804 -0.1294 0.3315 0.046 Uiso 1 1 calc R . .
C23 C 0.26130(10) 0.0023(2) 0.42951(10) 0.0367(6) Uani 1 1 d . . .
H23A H 0.2463 -0.0456 0.4535 0.055 Uiso 1 1 calc R . .
H23B H 0.2568 0.0657 0.4451 0.055 Uiso 1 1 calc R . .
H23C H 0.2992 -0.0104 0.4242 0.055 Uiso 1 1 calc R . .
C24 C 0.15114(13) -0.19622(19) 0.45337(12) 0.0492(7) Uani 1 1 d . . .
H24A H 0.1892 -0.1832 0.4567 0.074 Uiso 1 1 calc R . .
H24B H 0.1443 -0.2289 0.4197 0.074 Uiso 1 1 calc R . .
H24C H 0.1396 -0.2367 0.4829 0.074 Uiso 1 1 calc R . .
C25 C 0.12482(13) -0.0265(2) 0.52215(12) 0.0510(8) Uani 1 1 d . . .
H25A H 0.0987 0.0240 0.5283 0.076 Uiso 1 1 calc R . .
H25B H 0.1607 0.0004 0.5236 0.076 Uiso 1 1 calc R . .
H25C H 0.1211 -0.0756 0.5495 0.076 Uiso 1 1 calc R . .
C26 C 0.04099(11) -0.1122(2) 0.44930(13) 0.0539(8) Uani 1 1 d . . .
H26A H 0.0314 -0.1572 0.4774 0.081 Uiso 1 1 calc R . .
H26B H 0.0343 -0.1413 0.4146 0.081 Uiso 1 1 calc R . .
H26C H 0.0195 -0.0544 0.4529 0.081 Uiso 1 1 calc R . .
C27 C 0.18350(10) 0.22468(18) 0.45576(10) 0.0352(6) Uani 1 1 d . . .
H27A H 0.2164 0.2182 0.4353 0.053 Uiso 1 1 calc R . .
H27B H 0.1861 0.1869 0.4883 0.053 Uiso 1 1 calc R . .
H27C H 0.1780 0.2917 0.4649 0.053 Uiso 1 1 calc R . .
C28 C 0.11837(10) 0.26182(18) 0.35649(11) 0.0363(6) Uani 1 1 d . . .
H28A H 0.1167 0.3280 0.3686 0.054 Uiso 1 1 calc R . .
H28B H 0.0855 0.2458 0.3376 0.054 Uiso 1 1 calc R . .
H28C H 0.1488 0.2538 0.3326 0.054 Uiso 1 1 calc R . .
C29 C 0.06375(10) 0.19225(18) 0.45515(11) 0.0362(6) Uani 1 1 d . . .
H29A H 0.0674 0.1557 0.4881 0.054 Uiso 1 1 calc R . .
H29B H 0.0337 0.1675 0.4346 0.054 Uiso 1 1 calc R . .
H29C H 0.0575 0.2593 0.4637 0.054 Uiso 1 1 calc R . .
Ge1 Ge 0.128492(8) -0.033074(16) 0.244843(9) 0.01828(8) Uani 1 1 d . . .
P1 P 0.10629(2) -0.19726(4) 0.23392(2) 0.02410(14) Uani 1 1 d . . .
Si1 Si 0.12374(2) 0.03137(4) 0.15328(2) 0.01854(13) Uani 1 1 d . . .
Si2 Si 0.20932(2) 0.00133(4) 0.11909(3) 0.02413(14) Uani 1 1 d . . .
Si3 Si 0.06466(3) 0.01350(5) 0.08113(3) 0.03054(16) Uani 1 1 d . . .
Si4 Si 0.12075(2) 0.19604(4) 0.17070(3) 0.02109(14) Uani 1 1 d . . .
Si5 Si 0.13610(2) 0.02338(4) 0.38473(2) 0.02133(14) Uani 1 1 d . . .
Si6 Si 0.22592(2) -0.00303(4) 0.36358(3) 0.02153(14) Uani 1 1 d . . .
Si7 Si 0.11327(3) -0.08093(5) 0.45503(3) 0.03347(17) Uani 1 1 d . . .
Si8 Si 0.12617(2) 0.18124(4) 0.41513(3) 0.02416(14) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 Si2 1.884(2) . ?
C2 Si2 1.884(3) . ?
C3 Si2 1.874(3) . ?
C4 Si3 1.877(3) . ?
C5 Si3 1.875(3) . ?
C6 Si3 1.894(3) . ?
C7 Si4 1.883(2) . ?
C8 Si4 1.876(2) . ?
C9 Si4 1.876(2) . ?
C10 P1 1.810(3) . ?
C11 P1 1.815(2) . ?
C12 P1 1.810(3) . ?
C13 C14 1.347(3) . ?
C13 C15 1.500(3) . ?
C13 Ge1 2.031(2) . ?
C14 Si5 1.893(2) . ?
C15 C16 1.394(3) . ?
C15 C20 1.403(3) . ?
C16 C17 1.392(3) . ?
C17 C18 1.374(4) . ?
C18 C19 1.373(4) . ?
C19 C20 1.386(3) . ?
C21 Si6 1.869(2) . ?
C22 Si6 1.872(2) . ?
C23 Si6 1.886(3) . ?
C24 Si7 1.880(3) . ?
C25 Si7 1.879(3) . ?
C26 Si7 1.878(3) . ?
C27 Si8 1.872(2) . ?
C28 Si8 1.872(3) . ?
C29 Si8 1.874(2) . ?
Ge1 P1 2.3900(7) . ?
Ge1 Si1 2.4816(8) . ?
Si1 Si4 2.3566(9) . ?
Si1 Si2 2.3585(9) . ?
Si1 Si3 2.3621(9) . ?
Si5 Si6 2.3527(9) . ?
Si5 Si8 2.3603(9) . ?
Si5 Si7 2.3701(10) . ?

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
C14 C13 C15 118.91(19) . . ?
C14 C13 Ge1 112.85(15) . . ?
C15 C13 Ge1 128.23(16) . . ?
C13 C14 Si5 138.84(17) . . ?
C16 C15 C20 116.6(2) . . ?
C16 C15 C13 121.3(2) . . ?
C20 C15 C13 122.1(2) . . ?
C17 C16 C15 121.4(2) . . ?
C18 C17 C16 120.8(3) . . ?
C19 C18 C17 118.8(2) . . ?
C18 C19 C20 121.0(2) . . ?
C19 C20 C15 121.4(3) . . ?
C13 Ge1 P1 93.22(6) . . ?
C13 Ge1 Si1 114.36(6) . . ?
P1 Ge1 Si1 103.53(2) . . ?
C10 P1 C12 103.91(12) . . ?
C10 P1 C11 103.87(13) . . ?
C12 P1 C11 104.01(13) . . ?
C10 P1 Ge1 126.58(8) . . ?
C12 P1 Ge1 105.55(9) . . ?
C11 P1 Ge1 110.74(8) . . ?
Si4 Si1 Si2 105.84(3) . . ?
Si4 Si1 Si3 103.17(3) . . ?
Si2 Si1 Si3 105.96(4) . . ?
Si4 Si1 Ge1 100.76(3) . . ?
Si2 Si1 Ge1 103.31(3) . . ?
Si3 Si1 Ge1 135.00(3) . . ?
C3 Si2 C2 106.89(13) . . ?
C3 Si2 C1 106.32(12) . . ?
C2 Si2 C1 108.11(12) . . ?
C3 Si2 Si1 111.28(9) . . ?
C2 Si2 Si1 112.50(9) . . ?
C1 Si2 Si1 111.43(8) . . ?
C5 Si3 C4 107.36(13) . . ?
C5 Si3 C6 107.76(14) . . ?
C4 Si3 C6 106.06(13) . . ?
C5 Si3 Si1 113.59(9) . . ?
C4 Si3 Si1 109.06(9) . . ?
C6 Si3 Si1 112.62(9) . . ?
C9 Si4 C8 107.85(11) . . ?
C9 Si4 C7 108.43(11) . . ?
C8 Si4 C7 107.33(11) . . ?
C9 Si4 Si1 108.53(7) . . ?
C8 Si4 Si1 110.68(8) . . ?
C7 Si4 Si1 113.84(8) . . ?
C14 Si5 Si6 129.27(8) . . ?
C14 Si5 Si8 98.88(7) . . ?
Si6 Si5 Si8 108.88(3) . . ?
C14 Si5 Si7 102.34(7) . . ?
Si6 Si5 Si7 107.74(3) . . ?
Si8 Si5 Si7 108.24(4) . . ?
C21 Si6 C22 109.20(11) . . ?
C21 Si6 C23 106.70(12) . . ?
C22 Si6 C23 106.50(11) . . ?
C21 Si6 Si5 113.51(8) . . ?
C22 Si6 Si5 115.82(8) . . ?
C23 Si6 Si5 104.36(9) . . ?
C26 Si7 C25 108.33(15) . . ?
C26 Si7 C24 106.74(15) . . ?
C25 Si7 C24 106.99(14) . . ?
C26 Si7 Si5 108.79(10) . . ?
C25 Si7 Si5 112.56(10) . . ?
C24 Si7 Si5 113.17(10) . . ?
C28 Si8 C27 108.38(12) . . ?
C28 Si8 C29 106.67(12) . . ?
C27 Si8 C29 108.99(12) . . ?
C28 Si8 Si5 108.87(9) . . ?
C27 Si8 Si5 113.74(8) . . ?
C29 Si8 Si5 109.95(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C15 C13 C14 Si5 173.81(18) . . . . ?
Ge1 C13 C14 Si5 -5.2(3) . . . . ?
C14 C13 C15 C16 166.1(2) . . . . ?
Ge1 C13 C15 C16 -15.1(3) . . . . ?
C14 C13 C15 C20 -15.9(3) . . . . ?
Ge1 C13 C15 C20 162.90(16) . . . . ?
C20 C15 C16 C17 1.7(3) . . . . ?
C13 C15 C16 C17 179.9(2) . . . . ?
C15 C16 C17 C18 -0.2(4) . . . . ?
C16 C17 C18 C19 -0.9(4) . . . . ?
C17 C18 C19 C20 0.4(3) . . . . ?
C18 C19 C20 C15 1.3(3) . . . . ?
C16 C15 C20 C19 -2.3(3) . . . . ?
C13 C15 C20 C19 179.55(19) . . . . ?
C14 C13 Ge1 P1 113.51(15) . . . . ?
C15 C13 Ge1 P1 -65.35(17) . . . . ?
C14 C13 Ge1 Si1 -140.07(14) . . . . ?
C15 C13 Ge1 Si1 41.07(18) . . . . ?
C13 Ge1 P1 C10 65.96(13) . . . . ?
Si1 Ge1 P1 C10 -50.05(11) . . . . ?
C13 Ge1 P1 C12 -55.19(11) . . . . ?
Si1 Ge1 P1 C12 -171.20(9) . . . . ?
C13 Ge1 P1 C11 -167.16(13) . . . . ?
Si1 Ge1 P1 C11 76.84(11) . . . . ?
C13 Ge1 Si1 Si4 64.12(7) . . . . ?
P1 Ge1 Si1 Si4 164.04(2) . . . . ?
C13 Ge1 Si1 Si2 173.42(6) . . . . ?
P1 Ge1 Si1 Si2 -86.66(3) . . . . ?
C13 Ge1 Si1 Si3 -57.08(8) . . . . ?
P1 Ge1 Si1 Si3 42.85(5) . . . . ?
Si4 Si1 Si2 C3 84.45(10) . . . . ?
Si3 Si1 Si2 C3 -166.44(10) . . . . ?
Ge1 Si1 Si2 C3 -21.01(10) . . . . ?
Si4 Si1 Si2 C2 -155.64(10) . . . . ?
Si3 Si1 Si2 C2 -46.53(10) . . . . ?
Ge1 Si1 Si2 C2 98.90(10) . . . . ?
Si4 Si1 Si2 C1 -34.03(10) . . . . ?
Si3 Si1 Si2 C1 75.08(10) . . . . ?
Ge1 Si1 Si2 C1 -139.49(9) . . . . ?
Si4 Si1 Si3 C5 -160.53(12) . . . . ?
Si2 Si1 Si3 C5 88.46(12) . . . . ?
Ge1 Si1 Si3 C5 -40.19(13) . . . . ?
Si4 Si1 Si3 C4 79.79(10) . . . . ?
Si2 Si1 Si3 C4 -31.22(10) . . . . ?
Ge1 Si1 Si3 C4 -159.88(10) . . . . ?
Si4 Si1 Si3 C6 -37.67(10) . . . . ?
Si2 Si1 Si3 C6 -148.68(10) . . . . ?
Ge1 Si1 Si3 C6 82.67(11) . . . . ?
Si2 Si1 Si4 C9 -169.22(9) . . . . ?
Si3 Si1 Si4 C9 79.68(9) . . . . ?
Ge1 Si1 Si4 C9 -61.91(9) . . . . ?
Si2 Si1 Si4 C8 -51.05(9) . . . . ?
Si3 Si1 Si4 C8 -162.15(9) . . . . ?
Ge1 Si1 Si4 C8 56.25(9) . . . . ?
Si2 Si1 Si4 C7 69.94(9) . . . . ?
Si3 Si1 Si4 C7 -41.16(9) . . . . ?
Ge1 Si1 Si4 C7 177.25(9) . . . . ?
C13 C14 Si5 Si6 3.1(3) . . . . ?
C13 C14 Si5 Si8 126.5(2) . . . . ?
C13 C14 Si5 Si7 -122.5(2) . . . . ?
C14 Si5 Si6 C21 70.88(13) . . . . ?
Si8 Si5 Si6 C21 -48.47(9) . . . . ?
Si7 Si5 Si6 C21 -165.65(9) . . . . ?
C14 Si5 Si6 C22 -56.63(13) . . . . ?
Si8 Si5 Si6 C22 -175.98(9) . . . . ?
Si7 Si5 Si6 C22 66.84(10) . . . . ?
C14 Si5 Si6 C23 -173.34(12) . . . . ?
Si8 Si5 Si6 C23 67.30(10) . . . . ?
Si7 Si5 Si6 C23 -49.87(10) . . . . ?
C14 Si5 Si7 C26 -11.15(14) . . . . ?
Si6 Si5 Si7 C26 -149.77(12) . . . . ?
Si8 Si5 Si7 C26 92.64(12) . . . . ?
C14 Si5 Si7 C25 -131.22(13) . . . . ?
Si6 Si5 Si7 C25 90.16(11) . . . . ?
Si8 Si5 Si7 C25 -27.43(11) . . . . ?
C14 Si5 Si7 C24 107.31(14) . . . . ?
Si6 Si5 Si7 C24 -31.31(12) . . . . ?
Si8 Si5 Si7 C24 -148.90(12) . . . . ?
C14 Si5 Si8 C28 -52.51(11) . . . . ?
Si6 Si5 Si8 C28 84.42(9) . . . . ?
Si7 Si5 Si8 C28 -158.73(9) . . . . ?
C14 Si5 Si8 C27 -173.46(12) . . . . ?
Si6 Si5 Si8 C27 -36.53(10) . . . . ?
Si7 Si5 Si8 C27 80.32(10) . . . . ?
C14 Si5 Si8 C29 64.01(12) . . . . ?
Si6 Si5 Si8 C29 -159.06(10) . . . . ?
Si7 Si5 Si8 C29 -42.21(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.35
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.632
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.086

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.124 -0.062 0.902 33 0 ' '
2 0.376 0.061 0.402 33 0 ' '
3 0.624 -0.062 0.598 33 0 ' '
4 0.876 0.061 0.098 33 0 ' '
5 0.411 0.168 0.088 43 0 ' '
6 0.911 0.168 0.412 43 0 ' '
7 0.411 0.331 0.588 43 0 ' '
8 0.911 0.331 0.912 43 0 ' '
9 0.376 0.438 0.902 33 0 ' '
10 0.876 0.438 0.598 33 0 ' '
11 0.124 0.561 0.402 33 0 ' '
12 0.624 0.561 0.098 33 0 ' '
13 0.089 0.668 0.088 43 0 ' '
14 0.589 0.668 0.412 43 0 ' '
15 0.089 0.831 0.588 43 0 ' '
16 0.589 0.831 0.912 43 0 ' '
_platon_squeeze_details          
;
;

_database_code_depnum_ccdc_archive 'CCDC 969563'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_987j

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H75 Ge P Si8'
_chemical_formula_weight         848.25

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   9.809(2)
_cell_length_b                   14.698(3)
_cell_length_c                   20.257(4)
_cell_angle_alpha                105.37(3)
_cell_angle_beta                 97.24(3)
_cell_angle_gamma                109.32(3)
_cell_volume                     2583.3(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    10180
_cell_measurement_theta_min      4.515
_cell_measurement_theta_max      52.547

_exptl_crystal_description       plates
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.090
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             912
_exptl_absorpt_coefficient_mu    0.832
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7060
_exptl_absorpt_correction_T_max  0.8254
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SMART APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20672
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0444
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.55
_diffrn_reflns_theta_max         26.37
_reflns_number_total             10411
_reflns_number_gt                9093
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0473P)²+0.7607P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10411
_refine_ls_number_parameters     445
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.0940
_refine_ls_wR_factor_gt          0.0909
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.002
_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 0.67083(2) 0.838893(16) 0.731179(11) 0.01620(7) Uani 1 1 d . . .
P1 P 0.78971(7) 0.71927(5) 0.69446(3) 0.02366(13) Uani 1 1 d . . .
Si1 Si 0.48014(6) 0.68056(4) 0.85094(3) 0.01562(12) Uani 1 1 d . . .
Si2 Si 0.67481(6) 0.81260(4) 0.94133(3) 0.01884(13) Uani 1 1 d . . .
Si3 Si 0.25781(7) 0.67986(5) 0.88472(3) 0.02123(14) Uani 1 1 d . . .
Si4 Si 0.48099(7) 0.51781(4) 0.84648(3) 0.02003(13) Uani 1 1 d . . .
Si5 Si 0.67863(6) 1.09024(4) 0.71644(3) 0.01693(13) Uani 1 1 d . . .
Si6 Si 0.45518(7) 1.07969(5) 0.74969(3) 0.02007(13) Uani 1 1 d . . .
Si7 Si 0.87929(7) 1.15254(5) 0.81477(3) 0.02397(14) Uani 1 1 d . . .
Si8 Si 0.72856(7) 1.20729(5) 0.65347(3) 0.02171(14) Uani 1 1 d . . .
C1 C 0.4689(2) 0.72325(15) 0.71045(10) 0.0163(4) Uani 1 1 d . . .
C2 C 0.4236(2) 0.67520(16) 0.75654(11) 0.0173(4) Uani 1 1 d . . .
H2 H 0.3317 0.6194 0.7340 0.021 Uiso 1 1 calc R . .
C3 C 0.3615(2) 0.69003(16) 0.64160(11) 0.0188(4) Uani 1 1 d . . .
C4 C 0.3023(2) 0.58810(18) 0.59806(12) 0.0261(5) Uani 1 1 d . . .
H4 H 0.3310 0.5392 0.6123 0.031 Uiso 1 1 calc R . .
C5 C 0.2020(3) 0.5577(2) 0.53422(13) 0.0365(6) Uani 1 1 d . . .
H5 H 0.1641 0.4885 0.5047 0.044 Uiso 1 1 calc R . .
C6 C 0.1568(3) 0.6271(2) 0.51312(13) 0.0394(7) Uani 1 1 d . . .
H6 H 0.0883 0.6057 0.4692 0.047 Uiso 1 1 calc R . .
C7 C 0.2113(3) 0.7274(2) 0.55593(13) 0.0339(6) Uani 1 1 d . . .
H7 H 0.1786 0.7750 0.5421 0.041 Uiso 1 1 calc R . .
C8 C 0.3144(2) 0.75912(18) 0.61946(12) 0.0240(5) Uani 1 1 d . . .
H8 H 0.3531 0.8288 0.6481 0.029 Uiso 1 1 calc R . .
C9 C 0.6269(3) 0.92791(18) 0.97063(13) 0.0315(6) Uani 1 1 d . . .
H9A H 0.7113 0.9834 1.0061 0.047 Uiso 1 1 calc R . .
H9B H 0.5399 0.9113 0.9910 0.047 Uiso 1 1 calc R . .
H9C H 0.6043 0.9494 0.9301 0.047 Uiso 1 1 calc R . .
C10 C 0.8665(2) 0.85196(18) 0.92529(12) 0.0270(5) Uani 1 1 d . . .
H10A H 0.8666 0.8752 0.8842 0.041 Uiso 1 1 calc R . .
H10B H 0.8972 0.7937 0.9165 0.041 Uiso 1 1 calc R . .
H10C H 0.9359 0.9076 0.9667 0.041 Uiso 1 1 calc R . .
C11 C 0.6830(3) 0.7618(2) 1.01714(12) 0.0325(6) Uani 1 1 d . . .
H11A H 0.7488 0.8170 1.0597 0.049 Uiso 1 1 calc R . .
H11B H 0.7215 0.7073 1.0062 0.049 Uiso 1 1 calc R . .
H11C H 0.5831 0.7347 1.0250 0.049 Uiso 1 1 calc R . .
C12 C 0.2229(3) 0.79358(18) 0.87431(14) 0.0314(6) Uani 1 1 d . . .
H12A H 0.1266 0.7904 0.8843 0.047 Uiso 1 1 calc R . .
H12B H 0.2222 0.7938 0.8259 0.047 Uiso 1 1 calc R . .
H12C H 0.3017 0.8560 0.9072 0.047 Uiso 1 1 calc R . .
C13 C 0.0969(3) 0.56381(19) 0.82313(14) 0.0327(6) Uani 1 1 d . . .
H13A H 0.0056 0.5607 0.8389 0.049 Uiso 1 1 calc R . .
H13B H 0.1156 0.5023 0.8231 0.049 Uiso 1 1 calc R . .
H13C H 0.0860 0.5681 0.7754 0.049 Uiso 1 1 calc R . .
C14 C 0.2561(3) 0.6820(2) 0.97781(14) 0.0398(6) Uani 1 1 d . . .
H14A H 0.3363 0.7439 1.0105 0.060 Uiso 1 1 calc R . .
H14B H 0.2707 0.6218 0.9842 0.060 Uiso 1 1 calc R . .
H14C H 0.1603 0.6814 0.9873 0.060 Uiso 1 1 calc R . .
C15 C 0.3858(3) 0.42820(18) 0.75412(13) 0.0325(6) Uani 1 1 d . . .
H15A H 0.3749 0.3586 0.7519 0.049 Uiso 1 1 calc R . .
H15B H 0.4455 0.4492 0.7215 0.049 Uiso 1 1 calc R . .
H15C H 0.2874 0.4301 0.7409 0.049 Uiso 1 1 calc R . .
C16 C 0.6705(3) 0.51562(18) 0.87244(13) 0.0283(5) Uani 1 1 d . . .
H16A H 0.7227 0.5667 0.9189 0.042 Uiso 1 1 calc R . .
H16B H 0.7274 0.5312 0.8376 0.042 Uiso 1 1 calc R . .
H16C H 0.6603 0.4478 0.8744 0.042 Uiso 1 1 calc R . .
C17 C 0.6720(2) 0.88155(16) 0.64344(10) 0.0171(4) Uani 1 1 d . . .
C18 C 0.6745(2) 0.97430(16) 0.64598(11) 0.0187(4) Uani 1 1 d . . .
H18 H 0.6742 0.9843 0.6015 0.022 Uiso 1 1 calc R . .
C19 C 0.6974(2) 0.82220(16) 0.57646(11) 0.0191(4) Uani 1 1 d . . .
C20 C 0.8351(3) 0.86005(19) 0.56048(12) 0.0298(5) Uani 1 1 d . . .
H20 H 0.9111 0.9203 0.5929 0.036 Uiso 1 1 calc R . .
C21 C 0.8633(3) 0.8109(2) 0.49779(13) 0.0370(6) Uani 1 1 d . . .
H21 H 0.9583 0.8373 0.4883 0.044 Uiso 1 1 calc R . .
C22 C 0.7539(3) 0.7242(2) 0.44950(12) 0.0328(6) Uani 1 1 d . . .
H22 H 0.7727 0.6908 0.4067 0.039 Uiso 1 1 calc R . .
C23 C 0.6166(3) 0.68664(18) 0.46428(12) 0.0289(5) Uani 1 1 d . . .
H23 H 0.5403 0.6275 0.4310 0.035 Uiso 1 1 calc R . .
C24 C 0.5885(2) 0.73438(17) 0.52735(11) 0.0225(5) Uani 1 1 d . . .
H24 H 0.4939 0.7066 0.5369 0.027 Uiso 1 1 calc R . .
C25 C 0.3017(3) 1.0444(2) 0.67087(13) 0.0327(6) Uani 1 1 d . . .
H25A H 0.2955 0.9822 0.6354 0.049 Uiso 1 1 calc R . .
H25B H 0.3222 1.1001 0.6510 0.049 Uiso 1 1 calc R . .
H25C H 0.2071 1.0324 0.6851 0.049 Uiso 1 1 calc R . .
C26 C 0.3972(3) 0.98698(18) 0.79857(13) 0.0306(5) Uani 1 1 d . . .
H26A H 0.3053 0.9875 0.8126 0.046 Uiso 1 1 calc R . .
H26B H 0.4757 1.0066 0.8406 0.046 Uiso 1 1 calc R . .
H26C H 0.3802 0.9183 0.7681 0.046 Uiso 1 1 calc R . .
C27 C 0.4867(3) 1.20894(18) 0.81153(13) 0.0287(5) Uani 1 1 d . . .
H27A H 0.3933 1.2087 0.8241 0.043 Uiso 1 1 calc R . .
H27B H 0.5215 1.2603 0.7885 0.043 Uiso 1 1 calc R . .
H27C H 0.5616 1.2252 0.8542 0.043 Uiso 1 1 calc R . .
C28 C 0.8369(3) 1.10425(19) 0.88929(12) 0.0296(5) Uani 1 1 d . . .
H28A H 0.8061 1.0299 0.8734 0.044 Uiso 1 1 calc R . .
H28B H 0.7564 1.1224 0.9055 0.044 Uiso 1 1 calc R . .
H28C H 0.9258 1.1351 0.9281 0.044 Uiso 1 1 calc R . .
C29 C 0.9413(3) 1.2946(2) 0.85030(14) 0.0421(7) Uani 1 1 d . . .
H29A H 0.8574 1.3126 0.8618 0.063 Uiso 1 1 calc R . .
H29B H 0.9775 1.3242 0.8148 0.063 Uiso 1 1 calc R . .
H29C H 1.0213 1.3215 0.8929 0.063 Uiso 1 1 calc R . .
C30 C 1.0334(3) 1.1177(3) 0.78462(14) 0.0456(7) Uani 1 1 d . . .
H30A H 1.1204 1.1461 0.8242 0.068 Uiso 1 1 calc R . .
H30B H 1.0595 1.1455 0.7469 0.068 Uiso 1 1 calc R . .
H30C H 1.0010 1.0432 0.7669 0.068 Uiso 1 1 calc R . .
C31 C 0.7069(3) 1.33060(18) 0.69392(14) 0.0361(6) Uani 1 1 d . . .
H31A H 0.7434 1.3770 0.6675 0.054 Uiso 1 1 calc R . .
H31B H 0.7643 1.3618 0.7429 0.054 Uiso 1 1 calc R . .
H31C H 0.6017 1.3175 0.6925 0.054 Uiso 1 1 calc R . .
C32 C 0.9240(3) 1.2386(2) 0.64244(14) 0.0371(6) Uani 1 1 d . . .
H32A H 0.9390 1.1753 0.6221 0.056 Uiso 1 1 calc R . .
H32B H 0.9936 1.2773 0.6885 0.056 Uiso 1 1 calc R . .
H32C H 0.9414 1.2796 0.6110 0.056 Uiso 1 1 calc R . .
C33 C 0.6006(3) 1.1449(2) 0.56359(13) 0.0359(6) Uani 1 1 d . . .
H33A H 0.4973 1.1259 0.5680 0.054 Uiso 1 1 calc R . .
H33B H 0.6166 1.0836 0.5389 0.054 Uiso 1 1 calc R . .
H33C H 0.6208 1.1926 0.5369 0.054 Uiso 1 1 calc R . .
C34 C 0.9874(3) 0.7900(3) 0.7063(2) 0.0596(10) Uani 1 1 d . . .
H34A H 1.0291 0.8368 0.7548 0.089 Uiso 1 1 calc R . .
H34B H 1.0016 0.8290 0.6736 0.089 Uiso 1 1 calc R . .
H34C H 1.0380 0.7421 0.6969 0.089 Uiso 1 1 calc R . .
C35 C 0.7384(4) 0.6189(3) 0.61135(15) 0.0611(10) Uani 1 1 d . . .
H35A H 0.7935 0.5748 0.6144 0.092 Uiso 1 1 calc R . .
H35B H 0.7623 0.6488 0.5744 0.092 Uiso 1 1 calc R . .
H35C H 0.6315 0.5785 0.6000 0.092 Uiso 1 1 calc R . .
C36 C 0.7833(3) 0.65084(19) 0.75639(13) 0.0312(5) Uani 1 1 d . . .
H36A H 0.6805 0.6051 0.7504 0.047 Uiso 1 1 calc R . .
H36B H 0.8203 0.6994 0.8044 0.047 Uiso 1 1 calc R . .
H36C H 0.8455 0.6107 0.7481 0.047 Uiso 1 1 calc R . .
C37 C 0.3735(3) 0.46682(19) 0.90800(14) 0.0323(6) Uani 1 1 d . . .
H37A H 0.3782 0.4007 0.9063 0.048 Uiso 1 1 calc R . .
H37B H 0.2697 0.4584 0.8937 0.048 Uiso 1 1 calc R . .
H37C H 0.4167 0.5148 0.9561 0.048 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 C17 2.035(2) . ?
Ge1 C1 2.043(2) . ?
Ge1 P1 2.4261(9) . ?
P1 C36 1.799(2) . ?
P1 C35 1.800(3) . ?
P1 C34 1.821(3) . ?
Si1 C2 1.896(2) . ?
Si1 Si2 2.3557(16) . ?
Si1 Si3 2.3644(10) . ?
Si1 Si4 2.3725(9) . ?
Si2 C10 1.873(2) . ?
Si2 C9 1.874(2) . ?
Si2 C11 1.881(2) . ?
Si3 C12 1.871(2) . ?
Si3 C14 1.880(3) . ?
Si3 C13 1.885(3) . ?
Si4 C37 1.879(2) . ?
Si4 C16 1.881(2) . ?
Si4 C15 1.883(3) . ?
Si5 C18 1.896(2) . ?
Si5 Si6 2.3420(10) . ?
Si5 Si7 2.3523(14) . ?
Si5 Si8 2.3642(10) . ?
Si6 C26 1.872(2) . ?
Si6 C25 1.877(3) . ?
Si6 C27 1.878(2) . ?
Si7 C28 1.867(2) . ?
Si7 C30 1.871(3) . ?
Si7 C29 1.871(3) . ?
Si8 C33 1.873(3) . ?
Si8 C31 1.874(3) . ?
Si8 C32 1.875(3) . ?
C1 C2 1.347(3) . ?
C1 C3 1.491(3) . ?
C3 C8 1.395(3) . ?
C3 C4 1.398(3) . ?
C4 C5 1.386(3) . ?
C5 C6 1.378(4) . ?
C6 C7 1.377(4) . ?
C7 C8 1.392(3) . ?
C17 C18 1.342(3) . ?
C17 C19 1.505(3) . ?
C19 C24 1.391(3) . ?
C19 C20 1.396(3) . ?
C20 C21 1.395(3) . ?
C21 C22 1.379(4) . ?
C22 C23 1.380(3) . ?
C23 C24 1.394(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
C17 Ge1 C1 105.33(9) . . ?
C17 Ge1 P1 95.16(6) . . ?
C1 Ge1 P1 91.84(6) . . ?
C36 P1 C35 102.25(14) . . ?
C36 P1 C34 103.89(14) . . ?
C35 P1 C34 104.29(19) . . ?
C36 P1 Ge1 107.45(8) . . ?
C35 P1 Ge1 127.51(11) . . ?
C34 P1 Ge1 109.11(12) . . ?
C2 Si1 Si2 127.15(8) . . ?
C2 Si1 Si3 98.03(7) . . ?
Si2 Si1 Si3 105.98(4) . . ?
C2 Si1 Si4 106.81(8) . . ?
Si2 Si1 Si4 111.62(4) . . ?
Si3 Si1 Si4 104.17(4) . . ?
C10 Si2 C9 109.40(12) . . ?
C10 Si2 C11 106.32(12) . . ?
C9 Si2 C11 107.16(12) . . ?
C10 Si2 Si1 118.07(8) . . ?
C9 Si2 Si1 110.52(9) . . ?
C11 Si2 Si1 104.66(9) . . ?
C12 Si3 C14 107.88(13) . . ?
C12 Si3 C13 106.59(12) . . ?
C14 Si3 C13 108.72(13) . . ?
C12 Si3 Si1 109.23(8) . . ?
C14 Si3 Si1 114.86(9) . . ?
C13 Si3 Si1 109.25(9) . . ?
C37 Si4 C16 105.39(11) . . ?
C37 Si4 C15 107.93(13) . . ?
C16 Si4 C15 109.97(12) . . ?
C37 Si4 Si1 111.02(9) . . ?
C16 Si4 Si1 114.77(9) . . ?
C15 Si4 Si1 107.59(8) . . ?
C18 Si5 Si6 116.66(8) . . ?
C18 Si5 Si7 113.11(8) . . ?
Si6 Si5 Si7 111.83(4) . . ?
C18 Si5 Si8 98.67(7) . . ?
Si6 Si5 Si8 107.67(4) . . ?
Si7 Si5 Si8 107.53(4) . . ?
C26 Si6 C25 109.29(12) . . ?
C26 Si6 C27 106.90(11) . . ?
C25 Si6 C27 109.48(12) . . ?
C26 Si6 Si5 113.01(9) . . ?
C25 Si6 Si5 110.87(8) . . ?
C27 Si6 Si5 107.16(9) . . ?
C28 Si7 C30 108.92(13) . . ?
C28 Si7 C29 106.57(12) . . ?
C30 Si7 C29 109.80(15) . . ?
C28 Si7 Si5 115.12(9) . . ?
C30 Si7 Si5 107.95(9) . . ?
C29 Si7 Si5 108.41(10) . . ?
C33 Si8 C31 107.30(13) . . ?
C33 Si8 C32 107.86(13) . . ?
C31 Si8 C32 107.71(13) . . ?
C33 Si8 Si5 108.75(9) . . ?
C31 Si8 Si5 116.12(9) . . ?
C32 Si8 Si5 108.82(9) . . ?
C2 C1 C3 116.66(18) . . ?
C2 C1 Ge1 123.72(16) . . ?
C3 C1 Ge1 119.59(15) . . ?
C1 C2 Si1 141.72(17) . . ?
C8 C3 C4 118.0(2) . . ?
C8 C3 C1 121.1(2) . . ?
C4 C3 C1 120.9(2) . . ?
C5 C4 C3 120.6(2) . . ?
C6 C5 C4 120.6(2) . . ?
C7 C6 C5 119.7(2) . . ?
C6 C7 C8 120.1(2) . . ?
C7 C8 C3 120.9(2) . . ?
C18 C17 C19 114.97(18) . . ?
C18 C17 Ge1 120.64(15) . . ?
C19 C17 Ge1 123.52(14) . . ?
C17 C18 Si5 135.72(16) . . ?
C24 C19 C20 117.7(2) . . ?
C24 C19 C17 123.73(19) . . ?
C20 C19 C17 118.44(19) . . ?
C21 C20 C19 121.1(2) . . ?
C22 C21 C20 120.4(2) . . ?
C21 C22 C23 119.1(2) . . ?
C22 C23 C24 120.9(2) . . ?
C19 C24 C23 120.8(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C17 Ge1 P1 C36 -171.80(11) . . . . ?
C1 Ge1 P1 C36 -66.23(12) . . . . ?
C17 Ge1 P1 C35 -50.37(18) . . . . ?
C1 Ge1 P1 C35 55.20(18) . . . . ?
C17 Ge1 P1 C34 76.16(14) . . . . ?
C1 Ge1 P1 C34 -178.27(13) . . . . ?
C2 Si1 Si2 C10 -55.51(13) . . . . ?
Si3 Si1 Si2 C10 -169.04(9) . . . . ?
Si4 Si1 Si2 C10 78.17(10) . . . . ?
C2 Si1 Si2 C9 71.48(12) . . . . ?
Si3 Si1 Si2 C9 -42.06(9) . . . . ?
Si4 Si1 Si2 C9 -154.85(9) . . . . ?
C2 Si1 Si2 C11 -173.46(12) . . . . ?
Si3 Si1 Si2 C11 73.00(9) . . . . ?
Si4 Si1 Si2 C11 -39.79(9) . . . . ?
C2 Si1 Si3 C12 -59.82(12) . . . . ?
Si2 Si1 Si3 C12 72.63(10) . . . . ?
Si4 Si1 Si3 C12 -169.50(9) . . . . ?
C2 Si1 Si3 C14 178.86(12) . . . . ?
Si2 Si1 Si3 C14 -48.70(11) . . . . ?
Si4 Si1 Si3 C14 69.18(11) . . . . ?
C2 Si1 Si3 C13 56.41(11) . . . . ?
Si2 Si1 Si3 C13 -171.14(9) . . . . ?
Si4 Si1 Si3 C13 -53.26(9) . . . . ?
C2 Si1 Si4 C37 -130.24(11) . . . . ?
Si2 Si1 Si4 C37 86.79(10) . . . . ?
Si3 Si1 Si4 C37 -27.14(10) . . . . ?
C2 Si1 Si4 C16 110.39(12) . . . . ?
Si2 Si1 Si4 C16 -32.58(10) . . . . ?
Si3 Si1 Si4 C16 -146.50(9) . . . . ?
C2 Si1 Si4 C15 -12.35(11) . . . . ?
Si2 Si1 Si4 C15 -155.32(9) . . . . ?
Si3 Si1 Si4 C15 90.75(10) . . . . ?
C18 Si5 Si6 C26 68.93(12) . . . . ?
Si7 Si5 Si6 C26 -63.47(10) . . . . ?
Si8 Si5 Si6 C26 178.62(9) . . . . ?
C18 Si5 Si6 C25 -54.16(12) . . . . ?
Si7 Si5 Si6 C25 173.45(9) . . . . ?
Si8 Si5 Si6 C25 55.53(10) . . . . ?
C18 Si5 Si6 C27 -173.58(11) . . . . ?
Si7 Si5 Si6 C27 54.03(9) . . . . ?
Si8 Si5 Si6 C27 -63.89(9) . . . . ?
C18 Si5 Si7 C28 -94.60(12) . . . . ?
Si6 Si5 Si7 C28 39.54(10) . . . . ?
Si8 Si5 Si7 C28 157.54(9) . . . . ?
C18 Si5 Si7 C30 27.30(14) . . . . ?
Si6 Si5 Si7 C30 161.44(11) . . . . ?
Si8 Si5 Si7 C30 -80.57(12) . . . . ?
C18 Si5 Si7 C29 146.19(12) . . . . ?
Si6 Si5 Si7 C29 -79.67(10) . . . . ?
Si8 Si5 Si7 C29 38.33(10) . . . . ?
C18 Si5 Si8 C33 47.18(12) . . . . ?
Si6 Si5 Si8 C33 -74.48(10) . . . . ?
Si7 Si5 Si8 C33 164.87(10) . . . . ?
C18 Si5 Si8 C31 168.26(12) . . . . ?
Si6 Si5 Si8 C31 46.60(11) . . . . ?
Si7 Si5 Si8 C31 -74.06(11) . . . . ?
C18 Si5 Si8 C32 -70.07(12) . . . . ?
Si6 Si5 Si8 C32 168.27(10) . . . . ?
Si7 Si5 Si8 C32 47.61(10) . . . . ?
C17 Ge1 C1 C2 -178.75(17) . . . . ?
P1 Ge1 C1 C2 85.39(17) . . . . ?
C17 Ge1 C1 C3 -0.34(17) . . . . ?
P1 Ge1 C1 C3 -96.21(15) . . . . ?
C3 C1 C2 Si1 -171.90(19) . . . . ?
Ge1 C1 C2 Si1 6.5(3) . . . . ?
Si2 Si1 C2 C1 10.1(3) . . . . ?
Si3 Si1 C2 C1 127.2(2) . . . . ?
Si4 Si1 C2 C1 -125.3(2) . . . . ?
C2 C1 C3 C8 121.9(2) . . . . ?
Ge1 C1 C3 C8 -56.6(2) . . . . ?
C2 C1 C3 C4 -56.6(3) . . . . ?
Ge1 C1 C3 C4 124.93(19) . . . . ?
C8 C3 C4 C5 1.3(3) . . . . ?
C1 C3 C4 C5 179.8(2) . . . . ?
C3 C4 C5 C6 -1.2(4) . . . . ?
C4 C5 C6 C7 -0.2(4) . . . . ?
C5 C6 C7 C8 1.5(4) . . . . ?
C6 C7 C8 C3 -1.4(3) . . . . ?
C4 C3 C8 C7 0.0(3) . . . . ?
C1 C3 C8 C7 -178.4(2) . . . . ?
C1 Ge1 C17 C18 113.91(17) . . . . ?
P1 Ge1 C17 C18 -152.75(16) . . . . ?
C1 Ge1 C17 C19 -77.31(18) . . . . ?
P1 Ge1 C17 C19 16.03(17) . . . . ?
C19 C17 C18 Si5 -169.31(17) . . . . ?
Ge1 C17 C18 Si5 0.4(3) . . . . ?
Si6 Si5 C18 C17 -75.8(2) . . . . ?
Si7 Si5 C18 C17 56.0(2) . . . . ?
Si8 Si5 C18 C17 169.3(2) . . . . ?
C18 C17 C19 C24 -111.7(2) . . . . ?
Ge1 C17 C19 C24 79.0(2) . . . . ?
C18 C17 C19 C20 64.6(3) . . . . ?
Ge1 C17 C19 C20 -104.7(2) . . . . ?
C24 C19 C20 C21 -0.7(3) . . . . ?
C17 C19 C20 C21 -177.2(2) . . . . ?
C19 C20 C21 C22 1.0(4) . . . . ?
C20 C21 C22 C23 -0.3(4) . . . . ?
C21 C22 C23 C24 -0.8(4) . . . . ?
C20 C19 C24 C23 -0.4(3) . . . . ?
C17 C19 C24 C23 176.0(2) . . . . ?
C22 C23 C24 C19 1.2(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         0.773
_refine_diff_density_min         -0.299
_refine_diff_density_rms         0.069
_database_code_depnum_ccdc_archive 'CCDC 969566'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1027j

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H66 Ge Si8'
_chemical_formula_weight         772.18

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'
Si Si 0.0817 0.0704 '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                   13.204(3)
_cell_length_b                   19.641(4)
_cell_length_c                   18.411(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 109.70(3)
_cell_angle_gamma                90.00
_cell_volume                     4495.0(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    17250
_cell_measurement_theta_min      4.745
_cell_measurement_theta_max      52.548

_exptl_crystal_description       plates
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.141
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1656
_exptl_absorpt_coefficient_mu    0.916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7108
_exptl_absorpt_correction_T_max  0.8825
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SMART APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            34964
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.57
_diffrn_reflns_theta_max         26.38
_reflns_number_total             9187
_reflns_number_gt                8012
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0439P)²+2.7095P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9187
_refine_ls_number_parameters     406
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0434
_refine_ls_wR_factor_ref         0.0954
_refine_ls_wR_factor_gt          0.0924
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.097
_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 0.686785(19) 0.127646(12) 0.345677(14) 0.01458(7) Uani 1 1 d . . .
Si1 Si 0.60288(5) 0.23578(3) 0.35114(4) 0.01660(14) Uani 1 1 d . . .
Si2 Si 0.49889(5) 0.28711(3) 0.23454(4) 0.02027(15) Uani 1 1 d . . .
Si3 Si 0.55141(5) 0.27567(3) 0.45446(4) 0.01930(15) Uani 1 1 d . . .
Si4 Si 0.75019(6) 0.04615(3) 0.44786(4) 0.02060(15) Uani 1 1 d . . .
Si5 Si 0.45238(5) -0.00019(3) 0.21250(4) 0.01689(14) Uani 1 1 d . . .
Si6 Si 0.33380(5) 0.05285(3) 0.26621(4) 0.01982(15) Uani 1 1 d . . .
Si7 Si 0.34818(5) -0.00985(3) 0.08003(4) 0.02011(15) Uani 1 1 d . . .
Si8 Si 0.49517(6) -0.11422(3) 0.25338(4) 0.02023(15) Uani 1 1 d . . .
C1 C 0.4854(2) 0.23389(16) 0.14786(16) 0.0334(7) Uani 1 1 d . . .
H1A H 0.4612 0.1881 0.1555 0.050 Uiso 1 1 calc R . .
H1B H 0.5552 0.2309 0.1402 0.050 Uiso 1 1 calc R . .
H1C H 0.4327 0.2547 0.1023 0.050 Uiso 1 1 calc R . .
C2 C 0.3617(2) 0.30597(14) 0.23805(16) 0.0264(6) Uani 1 1 d . . .
H2A H 0.3182 0.3279 0.1898 0.040 Uiso 1 1 calc R . .
H2B H 0.3679 0.3365 0.2815 0.040 Uiso 1 1 calc R . .
H2C H 0.3271 0.2634 0.2447 0.040 Uiso 1 1 calc R . .
C3 C 0.5665(2) 0.36969(15) 0.22831(19) 0.0415(8) Uani 1 1 d . . .
H3A H 0.6390 0.3607 0.2273 0.062 Uiso 1 1 calc R . .
H3B H 0.5713 0.3979 0.2733 0.062 Uiso 1 1 calc R . .
H3C H 0.5246 0.3937 0.1811 0.062 Uiso 1 1 calc R . .
C4 C 0.4142(2) 0.25352(14) 0.45594(16) 0.0267(6) Uani 1 1 d . . .
H4A H 0.4130 0.2057 0.4709 0.040 Uiso 1 1 calc R . .
H4B H 0.3611 0.2606 0.4045 0.040 Uiso 1 1 calc R . .
H4C H 0.3966 0.2827 0.4932 0.040 Uiso 1 1 calc R . .
C5 C 0.5571(2) 0.37114(13) 0.44828(17) 0.0282(6) Uani 1 1 d . . .
H5A H 0.5543 0.3913 0.4963 0.042 Uiso 1 1 calc R . .
H5B H 0.4958 0.3873 0.4048 0.042 Uiso 1 1 calc R . .
H5C H 0.6243 0.3845 0.4405 0.042 Uiso 1 1 calc R . .
C6 C 0.6524(2) 0.24483(14) 0.54676(16) 0.0300(6) Uani 1 1 d . . .
H6A H 0.6374 0.2655 0.5905 0.045 Uiso 1 1 calc R . .
H6B H 0.7248 0.2577 0.5484 0.045 Uiso 1 1 calc R . .
H6C H 0.6477 0.1952 0.5497 0.045 Uiso 1 1 calc R . .
C7 C 0.75030(18) 0.25637(12) 0.37624(14) 0.0176(5) Uani 1 1 d . . .
H7 H 0.7821 0.3000 0.3901 0.021 Uiso 1 1 calc R . .
C8 C 0.80290(18) 0.19865(12) 0.37120(13) 0.0163(5) Uani 1 1 d . . .
C9 C 0.92134(19) 0.19092(12) 0.39387(14) 0.0189(5) Uani 1 1 d . . .
C10 C 0.9675(2) 0.13677(13) 0.36763(15) 0.0239(6) Uani 1 1 d . . .
H10 H 0.9224 0.1047 0.3331 0.029 Uiso 1 1 calc R . .
C11 C 1.0784(2) 0.12885(14) 0.39108(16) 0.0291(6) Uani 1 1 d . . .
H11 H 1.1084 0.0920 0.3717 0.035 Uiso 1 1 calc R . .
C12 C 1.1456(2) 0.17439(14) 0.44265(16) 0.0288(6) Uani 1 1 d . . .
H12 H 1.2215 0.1687 0.4590 0.035 Uiso 1 1 calc R . .
C13 C 1.1013(2) 0.22823(13) 0.47003(16) 0.0273(6) Uani 1 1 d . . .
H13 H 1.1468 0.2596 0.5056 0.033 Uiso 1 1 calc R . .
C14 C 0.9906(2) 0.23651(13) 0.44574(14) 0.0221(5) Uani 1 1 d . . .
H14 H 0.9612 0.2739 0.4647 0.027 Uiso 1 1 calc R . .
C15 C 0.6456(2) 0.01601(15) 0.48803(16) 0.0327(6) Uani 1 1 d . . .
H15A H 0.6765 -0.0191 0.5271 0.049 Uiso 1 1 calc R . .
H15B H 0.5846 -0.0031 0.4464 0.049 Uiso 1 1 calc R . .
H15C H 0.6209 0.0544 0.5117 0.049 Uiso 1 1 calc R . .
C16 C 0.8089(2) -0.02614(14) 0.40871(17) 0.0320(6) Uani 1 1 d . . .
H16A H 0.8351 -0.0612 0.4485 0.048 Uiso 1 1 calc R . .
H16B H 0.8688 -0.0094 0.3935 0.048 Uiso 1 1 calc R . .
H16C H 0.7535 -0.0456 0.3636 0.048 Uiso 1 1 calc R . .
C17 C 0.8585(2) 0.08717(15) 0.52959(16) 0.0323(6) Uani 1 1 d . . .
H17A H 0.8303 0.1287 0.5454 0.048 Uiso 1 1 calc R . .
H17B H 0.9194 0.0987 0.5129 0.048 Uiso 1 1 calc R . .
H17C H 0.8823 0.0555 0.5732 0.048 Uiso 1 1 calc R . .
C18 C 0.65949(18) 0.08322(11) 0.24325(13) 0.0149(5) Uani 1 1 d . . .
C19 C 0.74514(18) 0.09614(12) 0.20870(13) 0.0168(5) Uani 1 1 d . . .
C20 C 0.7713(2) 0.16195(13) 0.19240(14) 0.0210(5) Uani 1 1 d . . .
H20 H 0.7341 0.1997 0.2035 0.025 Uiso 1 1 calc R . .
C21 C 0.8512(2) 0.17304(14) 0.16010(15) 0.0279(6) Uani 1 1 d . . .
H21 H 0.8670 0.2181 0.1483 0.033 Uiso 1 1 calc R . .
C22 C 0.9077(2) 0.11865(15) 0.14511(16) 0.0315(6) Uani 1 1 d . . .
H22 H 0.9627 0.1263 0.1236 0.038 Uiso 1 1 calc R . .
C23 C 0.8839(2) 0.05305(15) 0.16156(16) 0.0293(6) Uani 1 1 d . . .
H23 H 0.9231 0.0157 0.1518 0.035 Uiso 1 1 calc R . .
C24 C 0.8025(2) 0.04174(13) 0.19248(14) 0.0220(5) Uani 1 1 d . . .
H24 H 0.7857 -0.0035 0.2027 0.026 Uiso 1 1 calc R . .
C25 C 0.57926(18) 0.04041(11) 0.20552(13) 0.0164(5) Uani 1 1 d . . .
H25 H 0.5898 0.0254 0.1596 0.020 Uiso 1 1 calc R . .
C26 C 0.2458(2) 0.11653(14) 0.19774(17) 0.0320(6) Uani 1 1 d . . .
H26A H 0.1996 0.1391 0.2223 0.048 Uiso 1 1 calc R . .
H26B H 0.2011 0.0932 0.1509 0.048 Uiso 1 1 calc R . .
H26C H 0.2909 0.1505 0.1843 0.048 Uiso 1 1 calc R . .
C27 C 0.2442(2) -0.01655(14) 0.27991(17) 0.0298(6) Uani 1 1 d . . .
H27A H 0.2865 -0.0479 0.3202 0.045 Uiso 1 1 calc R . .
H27B H 0.2128 -0.0415 0.2314 0.045 Uiso 1 1 calc R . .
H27C H 0.1866 0.0035 0.2953 0.045 Uiso 1 1 calc R . .
C28 C 0.3941(2) 0.09840(14) 0.35950(16) 0.0297(6) Uani 1 1 d . . .
H28A H 0.4367 0.1370 0.3522 0.045 Uiso 1 1 calc R . .
H28B H 0.4407 0.0672 0.3978 0.045 Uiso 1 1 calc R . .
H28C H 0.3368 0.1150 0.3775 0.045 Uiso 1 1 calc R . .
C29 C 0.2075(2) -0.04077(15) 0.06368(16) 0.0302(6) Uani 1 1 d . . .
H29A H 0.1691 -0.0455 0.0082 0.045 Uiso 1 1 calc R . .
H29B H 0.1697 -0.0079 0.0854 0.045 Uiso 1 1 calc R . .
H29C H 0.2103 -0.0850 0.0889 0.045 Uiso 1 1 calc R . .
C30 C 0.3429(2) 0.07563(13) 0.03293(15) 0.0266(6) Uani 1 1 d . . .
H30A H 0.4158 0.0943 0.0467 0.040 Uiso 1 1 calc R . .
H30B H 0.2980 0.1066 0.0507 0.040 Uiso 1 1 calc R . .
H30C H 0.3121 0.0706 -0.0232 0.040 Uiso 1 1 calc R . .
C31 C 0.4126(2) -0.07077(13) 0.03034(15) 0.0268(6) Uani 1 1 d . . .
H31A H 0.4125 -0.1166 0.0512 0.040 Uiso 1 1 calc R . .
H31B H 0.4869 -0.0565 0.0389 0.040 Uiso 1 1 calc R . .
H31C H 0.3722 -0.0710 -0.0251 0.040 Uiso 1 1 calc R . .
C32 C 0.3805(2) -0.17311(13) 0.20492(17) 0.0304(6) Uani 1 1 d . . .
H32A H 0.3624 -0.1700 0.1489 0.046 Uiso 1 1 calc R . .
H32B H 0.3177 -0.1601 0.2189 0.046 Uiso 1 1 calc R . .
H32C H 0.4013 -0.2200 0.2217 0.046 Uiso 1 1 calc R . .
C33 C 0.5302(2) -0.12858(14) 0.35993(16) 0.0324(6) Uani 1 1 d . . .
H33A H 0.5327 -0.1776 0.3704 0.049 Uiso 1 1 calc R . .
H33B H 0.4754 -0.1073 0.3776 0.049 Uiso 1 1 calc R . .
H33C H 0.6005 -0.1083 0.3873 0.049 Uiso 1 1 calc R . .
C34 C 0.6125(2) -0.13971(14) 0.22429(17) 0.0289(6) Uani 1 1 d . . .
H34A H 0.6296 -0.1877 0.2372 0.043 Uiso 1 1 calc R . .
H34B H 0.6748 -0.1115 0.2518 0.043 Uiso 1 1 calc R . .
H34C H 0.5945 -0.1333 0.1686 0.043 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 C18 1.997(2) . ?
Ge1 C8 2.008(2) . ?
Ge1 Si4 2.3959(8) . ?
Ge1 Si1 2.4132(8) . ?
Si1 C7 1.887(2) . ?
Si1 Si2 2.3500(12) . ?
Si1 Si3 2.3592(10) . ?
Si2 C1 1.865(3) . ?
Si2 C2 1.871(3) . ?
Si2 C3 1.873(3) . ?
Si3 C6 1.872(3) . ?
Si3 C4 1.873(3) . ?
Si3 C5 1.882(3) . ?
Si4 C15 1.869(3) . ?
Si4 C17 1.873(3) . ?
Si4 C16 1.874(3) . ?
Si5 C25 1.899(2) . ?
Si5 Si6 2.3575(10) . ?
Si5 Si8 2.3695(10) . ?
Si5 Si7 2.3695(13) . ?
Si6 C28 1.861(3) . ?
Si6 C26 1.875(3) . ?
Si6 C27 1.877(3) . ?
Si7 C31 1.876(3) . ?
Si7 C29 1.879(3) . ?
Si7 C30 1.880(3) . ?
Si8 C34 1.870(3) . ?
Si8 C32 1.875(3) . ?
Si8 C33 1.879(3) . ?
C7 C8 1.349(3) . ?
C8 C9 1.484(3) . ?
C9 C10 1.391(3) . ?
C9 C14 1.400(3) . ?
C10 C11 1.389(4) . ?
C11 C12 1.386(4) . ?
C12 C13 1.384(4) . ?
C13 C14 1.386(4) . ?
C18 C25 1.347(3) . ?
C18 C19 1.494(3) . ?
C19 C20 1.397(3) . ?
C19 C24 1.399(3) . ?
C20 C21 1.391(3) . ?
C21 C22 1.383(4) . ?
C22 C23 1.384(4) . ?
C23 C24 1.393(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
C18 Ge1 C8 113.89(9) . . ?
C18 Ge1 Si4 110.71(7) . . ?
C8 Ge1 Si4 104.08(7) . . ?
C18 Ge1 Si1 118.99(7) . . ?
C8 Ge1 Si1 72.78(7) . . ?
Si4 Ge1 Si1 126.80(3) . . ?
C7 Si1 Si2 111.63(8) . . ?
C7 Si1 Si3 106.57(8) . . ?
Si2 Si1 Si3 110.83(4) . . ?
C7 Si1 Ge1 75.44(8) . . ?
Si2 Si1 Ge1 118.33(3) . . ?
Si3 Si1 Ge1 125.94(3) . . ?
C1 Si2 C2 109.04(13) . . ?
C1 Si2 C3 110.04(15) . . ?
C2 Si2 C3 108.51(14) . . ?
C1 Si2 Si1 113.51(10) . . ?
C2 Si2 Si1 109.13(9) . . ?
C3 Si2 Si1 106.48(10) . . ?
C6 Si3 C4 107.95(13) . . ?
C6 Si3 C5 110.27(13) . . ?
C4 Si3 C5 106.93(12) . . ?
C6 Si3 Si1 108.30(9) . . ?
C4 Si3 Si1 118.54(9) . . ?
C5 Si3 Si1 104.70(9) . . ?
C15 Si4 C17 106.50(14) . . ?
C15 Si4 C16 111.63(14) . . ?
C17 Si4 C16 109.41(14) . . ?
C15 Si4 Ge1 114.41(10) . . ?
C17 Si4 Ge1 108.27(10) . . ?
C16 Si4 Ge1 106.53(9) . . ?
C25 Si5 Si6 124.66(8) . . ?
C25 Si5 Si8 107.29(8) . . ?
Si6 Si5 Si8 113.92(4) . . ?
C25 Si5 Si7 100.56(8) . . ?
Si6 Si5 Si7 103.28(4) . . ?
Si8 Si5 Si7 104.17(4) . . ?
C28 Si6 C26 105.98(13) . . ?
C28 Si6 C27 108.56(13) . . ?
C26 Si6 C27 107.41(14) . . ?
C28 Si6 Si5 117.48(9) . . ?
C26 Si6 Si5 111.18(10) . . ?
C27 Si6 Si5 105.85(9) . . ?
C31 Si7 C29 107.58(13) . . ?
C31 Si7 C30 107.28(12) . . ?
C29 Si7 C30 109.50(13) . . ?
C31 Si7 Si5 110.59(9) . . ?
C29 Si7 Si5 112.97(10) . . ?
C30 Si7 Si5 108.76(9) . . ?
C34 Si8 C32 108.23(13) . . ?
C34 Si8 C33 108.85(14) . . ?
C32 Si8 C33 106.20(13) . . ?
C34 Si8 Si5 107.09(9) . . ?
C32 Si8 Si5 111.35(10) . . ?
C33 Si8 Si5 114.95(9) . . ?
C8 C7 Si1 108.40(17) . . ?
C7 C8 C9 125.8(2) . . ?
C7 C8 Ge1 103.27(16) . . ?
C9 C8 Ge1 130.08(17) . . ?
C10 C9 C14 117.6(2) . . ?
C10 C9 C8 121.6(2) . . ?
C14 C9 C8 120.7(2) . . ?
C9 C10 C11 121.2(2) . . ?
C12 C11 C10 120.4(3) . . ?
C13 C12 C11 119.4(2) . . ?
C12 C13 C14 120.1(2) . . ?
C13 C14 C9 121.4(2) . . ?
C25 C18 C19 117.6(2) . . ?
C25 C18 Ge1 128.29(18) . . ?
C19 C18 Ge1 113.96(16) . . ?
C20 C19 C24 118.0(2) . . ?
C20 C19 C18 121.8(2) . . ?
C24 C19 C18 120.2(2) . . ?
C21 C20 C19 121.0(2) . . ?
C22 C21 C20 120.1(2) . . ?
C23 C22 C21 119.8(2) . . ?
C22 C23 C24 120.1(2) . . ?
C23 C24 C19 120.9(2) . . ?
C18 C25 Si5 141.77(19) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C18 Ge1 Si1 C7 -110.00(11) . . . . ?
C8 Ge1 Si1 C7 -1.76(10) . . . . ?
Si4 Ge1 Si1 C7 93.18(8) . . . . ?
C18 Ge1 Si1 Si2 -2.98(9) . . . . ?
C8 Ge1 Si1 Si2 105.25(8) . . . . ?
Si4 Ge1 Si1 Si2 -159.81(3) . . . . ?
C18 Ge1 Si1 Si3 149.88(8) . . . . ?
C8 Ge1 Si1 Si3 -101.88(8) . . . . ?
Si4 Ge1 Si1 Si3 -6.94(5) . . . . ?
C7 Si1 Si2 C1 88.35(14) . . . . ?
Si3 Si1 Si2 C1 -153.01(11) . . . . ?
Ge1 Si1 Si2 C1 3.72(12) . . . . ?
C7 Si1 Si2 C2 -149.81(12) . . . . ?
Si3 Si1 Si2 C2 -31.18(10) . . . . ?
Ge1 Si1 Si2 C2 125.55(9) . . . . ?
C7 Si1 Si2 C3 -32.87(15) . . . . ?
Si3 Si1 Si2 C3 85.76(13) . . . . ?
Ge1 Si1 Si2 C3 -117.51(12) . . . . ?
C7 Si1 Si3 C6 -48.52(13) . . . . ?
Si2 Si1 Si3 C6 -170.18(10) . . . . ?
Ge1 Si1 Si3 C6 35.26(11) . . . . ?
C7 Si1 Si3 C4 -171.84(13) . . . . ?
Si2 Si1 Si3 C4 66.51(11) . . . . ?
Ge1 Si1 Si3 C4 -88.05(11) . . . . ?
C7 Si1 Si3 C5 69.12(12) . . . . ?
Si2 Si1 Si3 C5 -52.53(10) . . . . ?
Ge1 Si1 Si3 C5 152.91(9) . . . . ?
C18 Ge1 Si4 C15 -101.30(13) . . . . ?
C8 Ge1 Si4 C15 135.94(13) . . . . ?
Si1 Ge1 Si4 C15 57.10(11) . . . . ?
C18 Ge1 Si4 C17 140.12(13) . . . . ?
C8 Ge1 Si4 C17 17.37(12) . . . . ?
Si1 Ge1 Si4 C17 -61.47(11) . . . . ?
C18 Ge1 Si4 C16 22.54(12) . . . . ?
C8 Ge1 Si4 C16 -100.21(12) . . . . ?
Si1 Ge1 Si4 C16 -179.05(10) . . . . ?
C25 Si5 Si6 C28 -45.14(15) . . . . ?
Si8 Si5 Si6 C28 89.45(11) . . . . ?
Si7 Si5 Si6 C28 -158.23(11) . . . . ?
C25 Si5 Si6 C26 77.16(14) . . . . ?
Si8 Si5 Si6 C26 -148.26(10) . . . . ?
Si7 Si5 Si6 C26 -35.94(11) . . . . ?
C25 Si5 Si6 C27 -166.51(13) . . . . ?
Si8 Si5 Si6 C27 -31.92(11) . . . . ?
Si7 Si5 Si6 C27 80.40(11) . . . . ?
C25 Si5 Si7 C31 65.24(12) . . . . ?
Si6 Si5 Si7 C31 -165.08(9) . . . . ?
Si8 Si5 Si7 C31 -45.79(10) . . . . ?
C25 Si5 Si7 C29 -174.11(12) . . . . ?
Si6 Si5 Si7 C29 -44.43(11) . . . . ?
Si8 Si5 Si7 C29 74.86(11) . . . . ?
C25 Si5 Si7 C30 -52.31(12) . . . . ?
Si6 Si5 Si7 C30 77.36(10) . . . . ?
Si8 Si5 Si7 C30 -163.35(9) . . . . ?
C25 Si5 Si8 C34 -24.65(13) . . . . ?
Si6 Si5 Si8 C34 -166.81(10) . . . . ?
Si7 Si5 Si8 C34 81.40(10) . . . . ?
C25 Si5 Si8 C32 -142.79(12) . . . . ?
Si6 Si5 Si8 C32 75.05(10) . . . . ?
Si7 Si5 Si8 C32 -36.74(10) . . . . ?
C25 Si5 Si8 C33 96.40(14) . . . . ?
Si6 Si5 Si8 C33 -45.76(12) . . . . ?
Si7 Si5 Si8 C33 -157.55(11) . . . . ?
Si2 Si1 C7 C8 -112.47(16) . . . . ?
Si3 Si1 C7 C8 126.38(16) . . . . ?
Ge1 Si1 C7 C8 2.64(15) . . . . ?
Si1 C7 C8 C9 -173.41(19) . . . . ?
Si1 C7 C8 Ge1 -3.16(18) . . . . ?
C18 Ge1 C8 C7 117.14(16) . . . . ?
Si4 Ge1 C8 C7 -122.22(15) . . . . ?
Si1 Ge1 C8 C7 2.45(14) . . . . ?
C18 Ge1 C8 C9 -73.2(2) . . . . ?
Si4 Ge1 C8 C9 47.4(2) . . . . ?
Si1 Ge1 C8 C9 172.1(2) . . . . ?
C7 C8 C9 C10 -161.7(2) . . . . ?
Ge1 C8 C9 C10 30.7(3) . . . . ?
C7 C8 C9 C14 21.4(4) . . . . ?
Ge1 C8 C9 C14 -146.2(2) . . . . ?
C14 C9 C10 C11 -1.0(4) . . . . ?
C8 C9 C10 C11 -178.0(2) . . . . ?
C9 C10 C11 C12 1.2(4) . . . . ?
C10 C11 C12 C13 -0.6(4) . . . . ?
C11 C12 C13 C14 -0.3(4) . . . . ?
C12 C13 C14 C9 0.5(4) . . . . ?
C10 C9 C14 C13 0.2(4) . . . . ?
C8 C9 C14 C13 177.2(2) . . . . ?
C8 Ge1 C18 C25 -171.0(2) . . . . ?
Si4 Ge1 C18 C25 72.1(2) . . . . ?
Si1 Ge1 C18 C25 -88.2(2) . . . . ?
C8 Ge1 C18 C19 14.02(19) . . . . ?
Si4 Ge1 C18 C19 -102.84(16) . . . . ?
Si1 Ge1 C18 C19 96.85(16) . . . . ?
C25 C18 C19 C20 124.9(3) . . . . ?
Ge1 C18 C19 C20 -59.5(3) . . . . ?
C25 C18 C19 C24 -55.7(3) . . . . ?
Ge1 C18 C19 C24 119.8(2) . . . . ?
C24 C19 C20 C21 0.8(4) . . . . ?
C18 C19 C20 C21 -179.9(2) . . . . ?
C19 C20 C21 C22 -1.4(4) . . . . ?
C20 C21 C22 C23 0.7(4) . . . . ?
C21 C22 C23 C24 0.6(4) . . . . ?
C22 C23 C24 C19 -1.2(4) . . . . ?
C20 C19 C24 C23 0.5(4) . . . . ?
C18 C19 C24 C23 -178.8(2) . . . . ?
C19 C18 C25 Si5 178.4(2) . . . . ?
Ge1 C18 C25 Si5 3.6(4) . . . . ?
Si6 Si5 C25 C18 34.2(3) . . . . ?
Si8 Si5 C25 C18 -102.8(3) . . . . ?
Si7 Si5 C25 C18 148.6(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.38
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.795
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.071

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.014 0.031 0.062 6 0 ' '
2 0.215 0.189 0.633 13 0 ' '
3 0.285 0.689 0.867 13 0 ' '
4 0.486 0.531 0.437 6 0 ' '
5 0.514 0.469 0.562 6 0 ' '
6 0.715 0.311 0.133 13 0 ' '
7 0.785 0.811 0.367 13 0 ' '
8 0.986 0.969 0.937 6 0 ' '
_platon_squeeze_details          
;
;

_database_code_depnum_ccdc_archive 'CCDC 969567'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1087j

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H60 Ge Si8'
_chemical_formula_weight         670.05

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'
Si Si 0.0817 0.0704 '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                   9.6420(19)
_cell_length_b                   18.886(4)
_cell_length_c                   22.043(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.58(3)
_cell_angle_gamma                90.00
_cell_volume                     3969.1(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    15524
_cell_measurement_theta_min      4.700
_cell_measurement_theta_max      52.483

_exptl_crystal_description       blocks
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.121
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1440
_exptl_absorpt_coefficient_mu    1.028
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6961
_exptl_absorpt_correction_T_max  0.8866
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(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  'SMART APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31171
_diffrn_reflns_av_R_equivalents  0.0267
_diffrn_reflns_av_sigmaI/netI    0.0244
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         26.34
_reflns_number_total             8067
_reflns_number_gt                7146
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0442P)²+0.7515P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8067
_refine_ls_number_parameters     334
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0286
_refine_ls_wR_factor_ref         0.0764
_refine_ls_wR_factor_gt          0.0740
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.042
_refine_ls_shift/su_mean         0.002

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 0.746734(16) 0.754359(8) 0.099078(7) 0.02004(6) Uani 1 1 d . . .
Si1 Si 0.57964(5) 0.82253(2) 0.14518(2) 0.02859(11) Uani 1 1 d . . .
Si2 Si 0.74562(5) 0.76685(2) -0.01035(2) 0.02234(10) Uani 1 1 d . . .
Si3 Si 0.96431(5) 0.77520(3) -0.04672(2) 0.03394(12) Uani 1 1 d . . .
Si4 Si 0.61159(5) 0.66874(3) -0.05232(2) 0.03190(12) Uani 1 1 d . . .
Si5 Si 0.63008(5) 0.87090(3) -0.05051(2) 0.02933(11) Uani 1 1 d . . .
Si6 Si 0.77624(5) 0.64424(2) 0.15706(2) 0.02459(10) Uani 1 1 d . . .
Si7 Si 0.62177(6) 0.59438(3) 0.22011(2) 0.03467(12) Uani 1 1 d . . .
Si8 Si 0.90833(6) 0.54934(3) 0.12709(2) 0.03616(12) Uani 1 1 d . . .
C1 C 0.91877(17) 0.76343(8) 0.16120(7) 0.0234(3) Uani 1 1 d . . .
C2 C 0.91562(17) 0.70563(9) 0.19672(7) 0.0281(4) Uani 1 1 d . . .
H2 H 0.9732 0.6972 0.2349 0.034 Uiso 1 1 calc R . .
C3 C 1.01472(17) 0.82446(8) 0.17186(7) 0.0253(3) Uani 1 1 d . . .
C4 C 0.9937(2) 0.88382(10) 0.13433(9) 0.0366(4) Uani 1 1 d . . .
H4 H 0.9185 0.8842 0.1012 0.044 Uiso 1 1 calc R . .
C5 C 1.0808(2) 0.94259(11) 0.14447(10) 0.0465(5) Uani 1 1 d . . .
H5 H 1.0646 0.9827 0.1183 0.056 Uiso 1 1 calc R . .
C6 C 1.1903(2) 0.94299(11) 0.19220(10) 0.0420(5) Uani 1 1 d . . .
H6 H 1.2495 0.9833 0.1993 0.050 Uiso 1 1 calc R . .
C7 C 1.2134(2) 0.88465(11) 0.22963(9) 0.0400(4) Uani 1 1 d . . .
H7 H 1.2887 0.8848 0.2628 0.048 Uiso 1 1 calc R . .
C8 C 1.12805(18) 0.82566(10) 0.21946(8) 0.0326(4) Uani 1 1 d . . .
H8 H 1.1467 0.7854 0.2452 0.039 Uiso 1 1 calc R . .
C9 C 0.3973(2) 0.79150(12) 0.11587(10) 0.0453(5) Uani 1 1 d . . .
H9A H 0.3892 0.7410 0.1248 0.068 Uiso 1 1 calc R . .
H9B H 0.3773 0.7990 0.0714 0.068 Uiso 1 1 calc R . .
H9C H 0.3299 0.8183 0.1360 0.068 Uiso 1 1 calc R . .
C10 C 0.5874(2) 0.92050(10) 0.13243(9) 0.0444(5) Uani 1 1 d . . .
H10A H 0.5253 0.9446 0.1572 0.067 Uiso 1 1 calc R . .
H10B H 0.5572 0.9310 0.0889 0.067 Uiso 1 1 calc R . .
H10C H 0.6839 0.9371 0.1445 0.067 Uiso 1 1 calc R . .
C11 C 0.6259(2) 0.81014(11) 0.23017(8) 0.0402(4) Uani 1 1 d . . .
H11A H 0.5519 0.8304 0.2508 0.060 Uiso 1 1 calc R . .
H11B H 0.7150 0.8340 0.2446 0.060 Uiso 1 1 calc R . .
H11C H 0.6351 0.7595 0.2396 0.060 Uiso 1 1 calc R . .
C12 C 1.0282(2) 0.86940(12) -0.04364(12) 0.0565(6) Uani 1 1 d . . .
H12A H 1.0365 0.8869 -0.0014 0.085 Uiso 1 1 calc R . .
H12B H 0.9614 0.8989 -0.0704 0.085 Uiso 1 1 calc R . .
H12C H 1.1201 0.8715 -0.0575 0.085 Uiso 1 1 calc R . .
C13 C 0.9403(3) 0.74573(17) -0.12866(12) 0.0762(9) Uani 1 1 d . . .
H13A H 1.0258 0.7558 -0.1462 0.114 Uiso 1 1 calc R . .
H13B H 0.8611 0.7712 -0.1519 0.114 Uiso 1 1 calc R . .
H13C H 0.9213 0.6947 -0.1308 0.114 Uiso 1 1 calc R . .
C14 C 1.1120(3) 0.72346(15) -0.00532(16) 0.0778(9) Uani 1 1 d . . .
H14A H 1.0944 0.6728 -0.0125 0.117 Uiso 1 1 calc R . .
H14B H 1.1207 0.7334 0.0387 0.117 Uiso 1 1 calc R . .
H14C H 1.1991 0.7368 -0.0203 0.117 Uiso 1 1 calc R . .
C15 C 0.7282(3) 0.59475(12) -0.07101(12) 0.0597(6) Uani 1 1 d . . .
H15A H 0.7999 0.5854 -0.0355 0.090 Uiso 1 1 calc R . .
H15B H 0.7738 0.6083 -0.1062 0.090 Uiso 1 1 calc R . .
H15C H 0.6719 0.5520 -0.0811 0.090 Uiso 1 1 calc R . .
C16 C 0.5014(2) 0.63465(13) 0.00439(10) 0.0522(6) Uani 1 1 d . . .
H16A H 0.4406 0.6727 0.0154 0.078 Uiso 1 1 calc R . .
H16B H 0.5623 0.6182 0.0413 0.078 Uiso 1 1 calc R . .
H16C H 0.4435 0.5952 -0.0138 0.078 Uiso 1 1 calc R . .
C17 C 0.4911(3) 0.69142(12) -0.12456(10) 0.0540(6) Uani 1 1 d . . .
H17A H 0.4389 0.6491 -0.1402 0.081 Uiso 1 1 calc R . .
H17B H 0.5464 0.7088 -0.1554 0.081 Uiso 1 1 calc R . .
H17C H 0.4252 0.7282 -0.1159 0.081 Uiso 1 1 calc R . .
C18 C 0.6384(2) 0.87700(12) -0.13507(9) 0.0456(5) Uani 1 1 d . . .
H18A H 0.5936 0.8352 -0.1559 0.068 Uiso 1 1 calc R . .
H18B H 0.7366 0.8792 -0.1416 0.068 Uiso 1 1 calc R . .
H18C H 0.5893 0.9198 -0.1518 0.068 Uiso 1 1 calc R . .
C19 C 0.4398(2) 0.87098(11) -0.04238(9) 0.0415(5) Uani 1 1 d . . .
H19A H 0.4300 0.8742 0.0012 0.062 Uiso 1 1 calc R . .
H19B H 0.3961 0.8271 -0.0596 0.062 Uiso 1 1 calc R . .
H19C H 0.3936 0.9117 -0.0644 0.062 Uiso 1 1 calc R . .
C20 C 0.7117(2) 0.95470(10) -0.01551(10) 0.0435(5) Uani 1 1 d . . .
H20A H 0.6503 0.9949 -0.0287 0.065 Uiso 1 1 calc R . .
H20B H 0.8031 0.9619 -0.0289 0.065 Uiso 1 1 calc R . .
H20C H 0.7242 0.9509 0.0293 0.065 Uiso 1 1 calc R . .
C21 C 0.4405(2) 0.63141(14) 0.21304(12) 0.0613(6) Uani 1 1 d . . .
H21A H 0.3875 0.6060 0.2408 0.092 Uiso 1 1 calc R . .
H21B H 0.3936 0.6259 0.1707 0.092 Uiso 1 1 calc R . .
H21C H 0.4453 0.6818 0.2239 0.092 Uiso 1 1 calc R . .
C22 C 0.5982(3) 0.49741(12) 0.20399(12) 0.0661(7) Uani 1 1 d . . .
H22A H 0.5392 0.4768 0.2320 0.099 Uiso 1 1 calc R . .
H22B H 0.6899 0.4740 0.2100 0.099 Uiso 1 1 calc R . .
H22C H 0.5530 0.4906 0.1615 0.099 Uiso 1 1 calc R . .
C23 C 0.7100(3) 0.60521(13) 0.30121(9) 0.0528(6) Uani 1 1 d . . .
H23A H 0.7195 0.6557 0.3111 0.079 Uiso 1 1 calc R . .
H23B H 0.8031 0.5833 0.3059 0.079 Uiso 1 1 calc R . .
H23C H 0.6535 0.5822 0.3290 0.079 Uiso 1 1 calc R . .
C24 C 0.8063(3) 0.47860(12) 0.08067(11) 0.0632(7) Uani 1 1 d . . .
H24A H 0.7514 0.4998 0.0442 0.095 Uiso 1 1 calc R . .
H24B H 0.7428 0.4556 0.1054 0.095 Uiso 1 1 calc R . .
H24C H 0.8711 0.4434 0.0681 0.095 Uiso 1 1 calc R . .
C25 C 0.9988(3) 0.50952(14) 0.20002(12) 0.0701(8) Uani 1 1 d . . .
H25A H 1.0584 0.4703 0.1905 0.105 Uiso 1 1 calc R . .
H25B H 0.9286 0.4919 0.2242 0.105 Uiso 1 1 calc R . .
H25C H 1.0568 0.5456 0.2236 0.105 Uiso 1 1 calc R . .
C26 C 1.0466(3) 0.58206(16) 0.08368(14) 0.0760(8) Uani 1 1 d . . .
H26A H 1.1116 0.5434 0.0784 0.114 Uiso 1 1 calc R . .
H26B H 1.0981 0.6209 0.1064 0.114 Uiso 1 1 calc R . .
H26C H 1.0030 0.5991 0.0433 0.114 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 C1 1.9945(17) . ?
Ge1 Si1 2.4031(6) . ?
Ge1 Si2 2.4220(7) . ?
Ge1 Si6 2.4354(6) . ?
Si1 C11 1.8746(19) . ?
Si1 C9 1.875(2) . ?
Si1 C10 1.875(2) . ?
Si2 Si5 2.3647(7) . ?
Si2 Si4 2.3669(8) . ?
Si2 Si3 2.3703(9) . ?
Si3 C14 1.852(3) . ?
Si3 C13 1.871(3) . ?
Si3 C12 1.881(2) . ?
Si4 C16 1.872(2) . ?
Si4 C17 1.875(2) . ?
Si4 C15 1.878(2) . ?
Si5 C19 1.870(2) . ?
Si5 C20 1.881(2) . ?
Si5 C18 1.881(2) . ?
Si6 C2 1.8879(17) . ?
Si6 Si8 2.3498(8) . ?
Si6 Si7 2.3779(8) . ?
Si7 C21 1.867(2) . ?
Si7 C23 1.873(2) . ?
Si7 C22 1.873(2) . ?
Si8 C26 1.859(3) . ?
Si8 C25 1.869(2) . ?
Si8 C24 1.871(2) . ?
C1 C2 1.346(2) . ?
C1 C3 1.475(2) . ?
C3 C4 1.390(2) . ?
C3 C8 1.398(2) . ?
C4 C5 1.390(3) . ?
C5 C6 1.375(3) . ?
C6 C7 1.375(3) . ?
C7 C8 1.384(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 Ge1 Si1 101.83(5) . . ?
C1 Ge1 Si2 123.71(5) . . ?
Si1 Ge1 Si2 117.73(2) . . ?
C1 Ge1 Si6 72.12(5) . . ?
Si1 Ge1 Si6 105.59(2) . . ?
Si2 Ge1 Si6 126.059(17) . . ?
C11 Si1 C9 112.13(10) . . ?
C11 Si1 C10 105.32(9) . . ?
C9 Si1 C10 108.27(10) . . ?
C11 Si1 Ge1 106.32(7) . . ?
C9 Si1 Ge1 109.90(7) . . ?
C10 Si1 Ge1 114.89(7) . . ?
Si5 Si2 Si4 107.76(3) . . ?
Si5 Si2 Si3 102.20(3) . . ?
Si4 Si2 Si3 112.41(3) . . ?
Si5 Si2 Ge1 112.68(2) . . ?
Si4 Si2 Ge1 103.54(3) . . ?
Si3 Si2 Ge1 118.12(3) . . ?
C14 Si3 C13 107.10(16) . . ?
C14 Si3 C12 104.93(12) . . ?
C13 Si3 C12 107.99(13) . . ?
C14 Si3 Si2 117.12(10) . . ?
C13 Si3 Si2 108.57(9) . . ?
C12 Si3 Si2 110.74(7) . . ?
C16 Si4 C17 107.72(11) . . ?
C16 Si4 C15 107.99(12) . . ?
C17 Si4 C15 107.39(11) . . ?
C16 Si4 Si2 109.85(7) . . ?
C17 Si4 Si2 112.70(7) . . ?
C15 Si4 Si2 111.00(8) . . ?
C19 Si5 C20 108.45(10) . . ?
C19 Si5 C18 106.41(10) . . ?
C20 Si5 C18 106.12(10) . . ?
C19 Si5 Si2 112.27(7) . . ?
C20 Si5 Si2 113.63(7) . . ?
C18 Si5 Si2 109.54(7) . . ?
C2 Si6 Si8 102.73(6) . . ?
C2 Si6 Si7 115.93(6) . . ?
Si8 Si6 Si7 105.98(3) . . ?
C2 Si6 Ge1 74.81(6) . . ?
Si8 Si6 Ge1 121.98(3) . . ?
Si7 Si6 Ge1 127.63(2) . . ?
C21 Si7 C23 108.96(12) . . ?
C21 Si7 C22 105.35(12) . . ?
C23 Si7 C22 108.23(12) . . ?
C21 Si7 Si6 117.58(8) . . ?
C23 Si7 Si6 106.25(8) . . ?
C22 Si7 Si6 110.20(8) . . ?
C26 Si8 C25 107.35(14) . . ?
C26 Si8 C24 108.35(13) . . ?
C25 Si8 C24 108.85(12) . . ?
C26 Si8 Si6 110.58(10) . . ?
C25 Si8 Si6 105.55(9) . . ?
C24 Si8 Si6 115.81(9) . . ?
C2 C1 C3 127.52(15) . . ?
C2 C1 Ge1 103.95(11) . . ?
C3 C1 Ge1 127.90(12) . . ?
C1 C2 Si6 107.75(12) . . ?
C4 C3 C8 117.51(16) . . ?
C4 C3 C1 120.21(15) . . ?
C8 C3 C1 122.28(15) . . ?
C3 C4 C5 121.16(18) . . ?
C6 C5 C4 120.28(19) . . ?
C5 C6 C7 119.49(17) . . ?
C6 C7 C8 120.58(18) . . ?
C7 C8 C3 120.97(17) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Ge1 Si1 C11 -33.57(9) . . . . ?
Si2 Ge1 Si1 C11 -172.23(7) . . . . ?
Si6 Ge1 Si1 C11 40.93(7) . . . . ?
C1 Ge1 Si1 C9 -155.14(9) . . . . ?
Si2 Ge1 Si1 C9 66.20(8) . . . . ?
Si6 Ge1 Si1 C9 -80.63(8) . . . . ?
C1 Ge1 Si1 C10 82.49(9) . . . . ?
Si2 Ge1 Si1 C10 -56.17(8) . . . . ?
Si6 Ge1 Si1 C10 157.00(8) . . . . ?
C1 Ge1 Si2 Si5 -110.49(6) . . . . ?
Si1 Ge1 Si2 Si5 18.50(3) . . . . ?
Si6 Ge1 Si2 Si5 157.83(2) . . . . ?
C1 Ge1 Si2 Si4 133.37(6) . . . . ?
Si1 Ge1 Si2 Si4 -97.64(3) . . . . ?
Si6 Ge1 Si2 Si4 41.69(3) . . . . ?
C1 Ge1 Si2 Si3 8.39(6) . . . . ?
Si1 Ge1 Si2 Si3 137.38(3) . . . . ?
Si6 Ge1 Si2 Si3 -83.29(3) . . . . ?
Si5 Si2 Si3 C14 158.89(12) . . . . ?
Si4 Si2 Si3 C14 -85.86(13) . . . . ?
Ge1 Si2 Si3 C14 34.63(13) . . . . ?
Si5 Si2 Si3 C13 -79.74(11) . . . . ?
Si4 Si2 Si3 C13 35.52(11) . . . . ?
Ge1 Si2 Si3 C13 156.01(11) . . . . ?
Si5 Si2 Si3 C12 38.66(9) . . . . ?
Si4 Si2 Si3 C12 153.91(9) . . . . ?
Ge1 Si2 Si3 C12 -85.59(9) . . . . ?
Si5 Si2 Si4 C16 -99.61(9) . . . . ?
Si3 Si2 Si4 C16 148.55(9) . . . . ?
Ge1 Si2 Si4 C16 19.96(9) . . . . ?
Si5 Si2 Si4 C17 20.50(10) . . . . ?
Si3 Si2 Si4 C17 -91.34(10) . . . . ?
Ge1 Si2 Si4 C17 140.08(9) . . . . ?
Si5 Si2 Si4 C15 141.02(9) . . . . ?
Si3 Si2 Si4 C15 29.18(9) . . . . ?
Ge1 Si2 Si4 C15 -99.41(9) . . . . ?
Si4 Si2 Si5 C19 50.23(8) . . . . ?
Si3 Si2 Si5 C19 168.84(7) . . . . ?
Ge1 Si2 Si5 C19 -63.36(8) . . . . ?
Si4 Si2 Si5 C20 173.77(8) . . . . ?
Si3 Si2 Si5 C20 -67.63(8) . . . . ?
Ge1 Si2 Si5 C20 60.18(8) . . . . ?
Si4 Si2 Si5 C18 -67.75(8) . . . . ?
Si3 Si2 Si5 C18 50.85(8) . . . . ?
Ge1 Si2 Si5 C18 178.66(8) . . . . ?
C1 Ge1 Si6 C2 6.36(7) . . . . ?
Si1 Ge1 Si6 C2 -91.32(6) . . . . ?
Si2 Ge1 Si6 C2 125.47(6) . . . . ?
C1 Ge1 Si6 Si8 -89.36(6) . . . . ?
Si1 Ge1 Si6 Si8 172.96(3) . . . . ?
Si2 Ge1 Si6 Si8 29.75(4) . . . . ?
C1 Ge1 Si6 Si7 117.62(6) . . . . ?
Si1 Ge1 Si6 Si7 19.94(3) . . . . ?
Si2 Ge1 Si6 Si7 -123.26(3) . . . . ?
C2 Si6 Si7 C21 104.45(12) . . . . ?
Si8 Si6 Si7 C21 -142.34(10) . . . . ?
Ge1 Si6 Si7 C21 14.06(10) . . . . ?
C2 Si6 Si7 C23 -17.83(10) . . . . ?
Si8 Si6 Si7 C23 95.38(8) . . . . ?
Ge1 Si6 Si7 C23 -108.22(9) . . . . ?
C2 Si6 Si7 C22 -134.85(12) . . . . ?
Si8 Si6 Si7 C22 -21.65(11) . . . . ?
Ge1 Si6 Si7 C22 134.75(11) . . . . ?
C2 Si6 Si8 C26 -52.27(12) . . . . ?
Si7 Si6 Si8 C26 -174.34(11) . . . . ?
Ge1 Si6 Si8 C26 27.61(11) . . . . ?
C2 Si6 Si8 C25 63.52(12) . . . . ?
Si7 Si6 Si8 C25 -58.55(10) . . . . ?
Ge1 Si6 Si8 C25 143.40(10) . . . . ?
C2 Si6 Si8 C24 -176.00(10) . . . . ?
Si7 Si6 Si8 C24 61.94(9) . . . . ?
Ge1 Si6 Si8 C24 -96.12(10) . . . . ?
Si1 Ge1 C1 C2 93.89(11) . . . . ?
Si2 Ge1 C1 C2 -130.77(10) . . . . ?
Si6 Ge1 C1 C2 -8.88(10) . . . . ?
Si1 Ge1 C1 C3 -77.45(14) . . . . ?
Si2 Ge1 C1 C3 57.89(15) . . . . ?
Si6 Ge1 C1 C3 179.78(15) . . . . ?
C3 C1 C2 Si6 -177.14(14) . . . . ?
Ge1 C1 C2 Si6 11.48(13) . . . . ?
Si8 Si6 C2 C1 110.65(12) . . . . ?
Si7 Si6 C2 C1 -134.29(11) . . . . ?
Ge1 Si6 C2 C1 -9.43(11) . . . . ?
C2 C1 C3 C4 -172.55(18) . . . . ?
Ge1 C1 C3 C4 -3.2(2) . . . . ?
C2 C1 C3 C8 6.9(3) . . . . ?
Ge1 C1 C3 C8 176.31(13) . . . . ?
C8 C3 C4 C5 -1.1(3) . . . . ?
C1 C3 C4 C5 178.41(18) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
C4 C5 C6 C7 0.3(3) . . . . ?
C5 C6 C7 C8 0.3(3) . . . . ?
C6 C7 C8 C3 -1.4(3) . . . . ?
C4 C3 C8 C7 1.7(3) . . . . ?
C1 C3 C8 C7 -177.76(16) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.34
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.462
_refine_diff_density_min         -0.224
_refine_diff_density_rms         0.057
_database_code_depnum_ccdc_archive 'CCDC 1008594'
