# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2013

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#                                CCDC 
# 
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# 
#  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.
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#  fide research purposes only. It may contain copyright material
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data_2Ge

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H53 Ge P, C6 H14'
_chemical_formula_sum            'C54 H67 Ge P'
_chemical_formula_weight         819.64

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'
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           Monoclinic
_symmetry_space_group_name_H-M   P21/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                   14.813(3)
_cell_length_b                   19.868(4)
_cell_length_c                   16.899(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.25(3)
_cell_angle_gamma                90.00
_cell_volume                     4635.1(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.175
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1752
_exptl_absorpt_coefficient_mu    0.729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9086
_exptl_absorpt_correction_T_max  0.9610
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
'Hexane solvate is not well ordered but simply modelled
as a single component with DFIX restraints on the carbon
- carbon 1 bond distances' 
;

_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  'Nonius Cappa CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            35818
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.65
_diffrn_reflns_theta_max         27.56
_reflns_number_total             10616
_reflns_number_gt                8551
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       SMART
_computing_cell_refinement       DENZO
_computing_data_reduction        SMART
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXP-97 (Sheldrick, 1997)'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0775P)^2^+5.2736P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10616
_refine_ls_number_parameters     538
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0583
_refine_ls_wR_factor_ref         0.1563
_refine_ls_wR_factor_gt          0.1449
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.000
_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
Ge1A Ge 0.08859(4) 0.406247(16) 0.19849(3) 0.02687(13) Uani 0.921(2) 1 d P A 1
P1A P 0.18389(9) 0.38381(5) 0.11885(7) 0.0541(3) Uani 0.921(2) 1 d P A 1
H1GE H -0.016(3) 0.4077(17) 0.128(2) 0.043(10) Uiso 0.921(2) 1 d P A 1
H1PA H 0.154(3) 0.4209(19) 0.076(2) 0.042(9) Uiso 0.921(2) 1 d P A 1
H2PA H 0.131(3) 0.330(2) 0.082(3) 0.071(13) Uiso 0.921(2) 1 d P A 1
Ge1B Ge 0.1318(5) 0.3998(2) 0.2202(3) 0.0262(12) Uiso 0.079(2) 1 d P A 2
P1B P 0.0496(9) 0.3868(6) 0.0745(8) 0.054(3) Uiso 0.079(2) 1 d P A 2
C1 C 0.11356(18) 0.49448(13) 0.25710(16) 0.0298(5) Uani 1 1 d . . .
C2 C 0.05602(19) 0.51563(12) 0.30399(16) 0.0296(5) Uani 1 1 d . A .
C3 C 0.0847(2) 0.57228(14) 0.35624(17) 0.0336(6) Uani 1 1 d . . .
H3A H 0.0487 0.5848 0.3904 0.040 Uiso 1 1 calc R A .
C4 C 0.1636(2) 0.61038(14) 0.35965(19) 0.0366(6) Uani 1 1 d . A .
H4A H 0.1844 0.6469 0.3984 0.044 Uiso 1 1 calc R . .
C5 C 0.2124(2) 0.59483(14) 0.30585(19) 0.0370(6) Uani 1 1 d . . .
H5A H 0.2633 0.6233 0.3044 0.044 Uiso 1 1 calc R A .
C6 C 0.18793(19) 0.53809(13) 0.25374(17) 0.0330(5) Uani 1 1 d . A .
C7 C 0.2370(2) 0.53337(13) 0.18974(18) 0.0343(6) Uani 1 1 d . . .
C8 C 0.3339(2) 0.51287(16) 0.21274(19) 0.0404(6) Uani 1 1 d . A .
C9 C 0.3782(2) 0.51601(19) 0.1531(2) 0.0495(8) Uani 1 1 d . . .
H9A H 0.4433 0.5012 0.1688 0.059 Uiso 1 1 calc R A .
C10 C 0.3310(2) 0.53994(17) 0.0716(2) 0.0469(7) Uani 1 1 d . A .
C11 C 0.2356(2) 0.56022(16) 0.0493(2) 0.0438(7) Uani 1 1 d . . .
H11A H 0.2016 0.5760 -0.0067 0.053 Uiso 1 1 calc R A .
C12 C 0.1881(2) 0.55813(14) 0.10705(19) 0.0373(6) Uani 1 1 d . A .
C13 C 0.3896(2) 0.4873(2) 0.3004(2) 0.0551(9) Uani 1 1 d . . .
H13A H 0.4559 0.4765 0.3052 0.083 Uiso 1 1 calc R A .
H13B H 0.3581 0.4467 0.3111 0.083 Uiso 1 1 calc R . .
H13C H 0.3911 0.5219 0.3421 0.083 Uiso 1 1 calc R . .
C14 C 0.3822(3) 0.5455(3) 0.0091(3) 0.0709(12) Uani 1 1 d . . .
H14A H 0.4389 0.5748 0.0327 0.106 Uiso 1 1 calc R A .
H14B H 0.3379 0.5646 -0.0443 0.106 Uiso 1 1 calc R . .
H14C H 0.4031 0.5007 -0.0016 0.106 Uiso 1 1 calc R . .
C15 C 0.0843(2) 0.58269(18) 0.0775(2) 0.0484(8) Uani 1 1 d . . .
H15A H 0.0684 0.6064 0.0233 0.073 Uiso 1 1 calc R A .
H15B H 0.0766 0.6134 0.1200 0.073 Uiso 1 1 calc R . .
H15C H 0.0407 0.5441 0.0701 0.073 Uiso 1 1 calc R . .
C16 C -0.04387(19) 0.49041(13) 0.29460(17) 0.0316(5) Uani 1 1 d . . .
C17 C -0.06262(19) 0.45727(13) 0.36099(17) 0.0323(5) Uani 1 1 d . A .
C18 C -0.1581(2) 0.44832(15) 0.35582(19) 0.0397(6) Uani 1 1 d . . .
H18A H -0.1698 0.4254 0.4005 0.048 Uiso 1 1 calc R A .
C19 C -0.2358(2) 0.47169(17) 0.2881(2) 0.0455(7) Uani 1 1 d . A .
C20 C -0.2167(2) 0.50480(17) 0.2236(2) 0.0463(7) Uani 1 1 d . . .
H20A H -0.2696 0.5213 0.1765 0.056 Uiso 1 1 calc R A .
C21 C -0.1229(2) 0.51475(15) 0.22502(19) 0.0384(6) Uani 1 1 d . A .
C22 C -0.1091(2) 0.55311(19) 0.1534(2) 0.0508(8) Uani 1 1 d . . .
H22A H -0.1720 0.5690 0.1141 0.076 Uiso 1 1 calc R A .
H22B H -0.0797 0.5235 0.1230 0.076 Uiso 1 1 calc R . .
H22C H -0.0665 0.5918 0.1763 0.076 Uiso 1 1 calc R . .
C23 C -0.3379(2) 0.4608(2) 0.2837(3) 0.0663(11) Uani 1 1 d . . .
H23A H -0.3377 0.4297 0.3288 0.099 Uiso 1 1 calc R A .
H23B H -0.3766 0.4418 0.2283 0.099 Uiso 1 1 calc R . .
H23C H -0.3658 0.5040 0.2913 0.099 Uiso 1 1 calc R . .
C24 C 0.0176(2) 0.43100(15) 0.43785(18) 0.0365(6) Uani 1 1 d . . .
H24A H -0.0099 0.4117 0.4776 0.055 Uiso 1 1 calc R A .
H24B H 0.0615 0.4679 0.4656 0.055 Uiso 1 1 calc R . .
H24C H 0.0536 0.3962 0.4206 0.055 Uiso 1 1 calc R . .
C25 C 0.17511(19) 0.32051(13) 0.35882(16) 0.0319(5) Uani 1 1 d . A .
C26 C 0.1604(2) 0.27476(14) 0.41621(18) 0.0367(6) Uani 1 1 d . . .
H26A H 0.2085 0.2706 0.4714 0.044 Uiso 1 1 calc R . .
C27 C 0.0781(2) 0.23554(14) 0.39479(18) 0.0386(6) Uani 1 1 d . . .
H27A H 0.0676 0.2073 0.4360 0.046 Uiso 1 1 calc R . .
C28 C 0.0113(2) 0.23776(14) 0.31306(18) 0.0363(6) Uani 1 1 d . . .
H28A H -0.0424 0.2079 0.2967 0.044 Uiso 1 1 calc R . .
C29 C 0.10031(18) 0.32940(13) 0.27834(16) 0.0291(5) Uani 1 1 d . . .
C30 C 0.02145(19) 0.28343(12) 0.25380(16) 0.0293(5) Uani 1 1 d . A .
C31 C -0.04800(19) 0.27574(12) 0.16355(16) 0.0304(5) Uani 1 1 d . . .
C32 C -0.1446(2) 0.29700(13) 0.13912(17) 0.0324(5) Uani 1 1 d . A .
C33 C -0.2073(2) 0.28732(14) 0.05552(18) 0.0364(6) Uani 1 1 d . . .
H33A H -0.2726 0.3019 0.0395 0.044 Uiso 1 1 calc R A .
C34 C -0.1777(2) 0.25712(14) -0.00496(18) 0.0379(6) Uani 1 1 d . A .
C35 C -0.0831(2) 0.23349(14) 0.02106(17) 0.0357(6) Uani 1 1 d . . .
H35A H -0.0618 0.2117 -0.0191 0.043 Uiso 1 1 calc R A .
C36 C -0.0183(2) 0.24085(13) 0.10473(17) 0.0333(6) Uani 1 1 d . A .
C37 C -0.1815(2) 0.33012(16) 0.2014(2) 0.0430(7) Uani 1 1 d . . .
H37A H -0.1398 0.3684 0.2281 0.064 Uiso 1 1 calc R A .
H37B H -0.1809 0.2976 0.2451 0.064 Uiso 1 1 calc R . .
H37C H -0.2478 0.3461 0.1716 0.064 Uiso 1 1 calc R . .
C38 C -0.2453(3) 0.25043(19) -0.0961(2) 0.0518(8) Uani 1 1 d . . .
H38A H -0.3121 0.2464 -0.0982 0.078 Uiso 1 1 calc R A .
H38B H -0.2282 0.2102 -0.1211 0.078 Uiso 1 1 calc R . .
H38C H -0.2396 0.2903 -0.1280 0.078 Uiso 1 1 calc R . .
C39 C 0.0797(2) 0.20784(15) 0.1301(2) 0.0407(6) Uani 1 1 d . . .
H39A H 0.0864 0.1863 0.0804 0.061 Uiso 1 1 calc R A .
H39B H 0.0860 0.1738 0.1738 0.061 Uiso 1 1 calc R . .
H39C H 0.1304 0.2419 0.1526 0.061 Uiso 1 1 calc R . .
C40 C 0.27852(19) 0.34540(14) 0.38527(17) 0.0350(6) Uani 1 1 d . . .
C41 C 0.3414(2) 0.30695(17) 0.3574(2) 0.0451(7) Uani 1 1 d . A .
C42 C 0.4409(2) 0.32046(19) 0.3897(2) 0.0491(8) Uani 1 1 d . . .
H42A H 0.4823 0.2951 0.3692 0.059 Uiso 1 1 calc R A .
C43 C 0.4807(2) 0.36943(17) 0.4501(2) 0.0435(7) Uani 1 1 d . A .
C44 C 0.4186(2) 0.40602(15) 0.47859(19) 0.0405(6) Uani 1 1 d . . .
H44A H 0.4449 0.4398 0.5205 0.049 Uiso 1 1 calc R A .
C45 C 0.2575(2) 0.43509(17) 0.4840(2) 0.0440(7) Uani 1 1 d . . .
H45A H 0.2990 0.4654 0.5279 0.066 Uiso 1 1 calc R A .
H45B H 0.2231 0.4047 0.5091 0.066 Uiso 1 1 calc R . .
H45C H 0.2104 0.4616 0.4389 0.066 Uiso 1 1 calc R . .
C46 C 0.3058(2) 0.2494(2) 0.2956(2) 0.0607(10) Uani 1 1 d . . .
H46A H 0.3594 0.2183 0.3023 0.091 Uiso 1 1 calc R A .
H46B H 0.2811 0.2670 0.2375 0.091 Uiso 1 1 calc R . .
H46C H 0.2538 0.2255 0.3069 0.091 Uiso 1 1 calc R . .
C47 C 0.5888(2) 0.3828(2) 0.4844(2) 0.0566(9) Uani 1 1 d . . .
H47A H 0.6086 0.3993 0.4385 0.085 Uiso 1 1 calc R A .
H47B H 0.6236 0.3410 0.5075 0.085 Uiso 1 1 calc R . .
H47C H 0.6042 0.4167 0.5295 0.085 Uiso 1 1 calc R . .
C48 C 0.3186(2) 0.39471(14) 0.44758(18) 0.0360(6) Uani 1 1 d . A .
C1S C 0.6116(6) 0.8515(5) 0.4884(7) 0.174(4) Uani 1 1 d D . .
H1SA H 0.5903 0.8888 0.5154 0.261 Uiso 1 1 calc R . .
H1SB H 0.6558 0.8686 0.4617 0.261 Uiso 1 1 calc R . .
H1SC H 0.6451 0.8178 0.5313 0.261 Uiso 1 1 calc R . .
C5S C 0.4657(8) 0.6844(6) 0.2788(9) 0.252(9) Uani 1 1 d D . .
H5S1 H 0.4116 0.6538 0.2753 0.302 Uiso 1 1 calc R . .
H5S2 H 0.4521 0.7009 0.2203 0.302 Uiso 1 1 calc R . .
C4S C 0.4534(8) 0.7443(8) 0.3274(7) 0.246(8) Uani 1 1 d D . .
H4SA H 0.4159 0.7327 0.3635 0.295 Uiso 1 1 calc R . .
H4SB H 0.4204 0.7815 0.2887 0.295 Uiso 1 1 calc R . .
C3S C 0.5561(7) 0.7626(5) 0.3804(6) 0.214(6) Uani 1 1 d D . .
H3SA H 0.5906 0.7268 0.4207 0.257 Uiso 1 1 calc R . .
H3SB H 0.5945 0.7772 0.3461 0.257 Uiso 1 1 calc R . .
C6S C 0.5524(8) 0.6402(6) 0.2985(7) 0.288(10) Uani 1 1 d D . .
H6SA H 0.5408 0.6067 0.2533 0.431 Uiso 1 1 calc R . .
H6SB H 0.5645 0.6173 0.3527 0.431 Uiso 1 1 calc R . .
H6SC H 0.6089 0.6676 0.3023 0.431 Uiso 1 1 calc R . .
C2S C 0.5250(9) 0.8197(6) 0.4219(7) 0.259(8) Uani 1 1 d D . .
H2SA H 0.4796 0.8031 0.4485 0.311 Uiso 1 1 calc R . .
H2SB H 0.4906 0.8538 0.3786 0.311 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ge1A 0.0299(3) 0.02533(16) 0.02618(18) -0.00174(12) 0.01117(18) -0.00219(13)
P1A 0.0737(7) 0.0469(5) 0.0631(6) -0.0145(5) 0.0505(6) -0.0113(5)
C1 0.0309(12) 0.0282(12) 0.0308(12) -0.0023(10) 0.0118(10) -0.0020(10)
C2 0.0331(13) 0.0258(12) 0.0311(12) -0.0006(10) 0.0131(11) 0.0006(10)
C3 0.0357(14) 0.0305(13) 0.0364(14) -0.0037(11) 0.0152(11) 0.0024(11)
C4 0.0378(14) 0.0302(13) 0.0407(15) -0.0076(11) 0.0128(12) -0.0021(11)
C5 0.0352(14) 0.0319(14) 0.0458(16) -0.0070(12) 0.0171(12) -0.0066(11)
C6 0.0336(13) 0.0298(13) 0.0371(14) -0.0030(11) 0.0147(11) -0.0030(10)
C7 0.0359(14) 0.0308(13) 0.0400(14) -0.0041(11) 0.0184(12) -0.0054(11)
C8 0.0327(14) 0.0519(17) 0.0382(15) -0.0001(13) 0.0146(12) -0.0047(12)
C9 0.0360(15) 0.069(2) 0.0491(18) 0.0036(16) 0.0228(14) 0.0023(15)
C10 0.0463(17) 0.0549(19) 0.0477(17) 0.0024(15) 0.0269(15) -0.0027(14)
C11 0.0495(17) 0.0417(16) 0.0444(16) 0.0087(13) 0.0219(14) 0.0012(13)
C12 0.0422(15) 0.0304(13) 0.0433(15) 0.0055(11) 0.0203(13) 0.0000(11)
C13 0.0353(16) 0.085(3) 0.0445(18) 0.0079(17) 0.0140(14) 0.0024(16)
C14 0.065(2) 0.102(3) 0.061(2) 0.016(2) 0.041(2) 0.010(2)
C15 0.0465(18) 0.0539(19) 0.0456(17) 0.0130(15) 0.0177(14) 0.0099(14)
C16 0.0327(13) 0.0303(13) 0.0338(13) -0.0028(10) 0.0145(11) 0.0000(10)
C17 0.0339(13) 0.0325(13) 0.0343(13) -0.0057(11) 0.0171(11) -0.0015(10)
C18 0.0393(15) 0.0452(16) 0.0419(15) -0.0068(13) 0.0235(13) -0.0049(12)
C19 0.0328(14) 0.0590(19) 0.0495(17) -0.0101(15) 0.0206(13) -0.0009(13)
C20 0.0325(14) 0.0568(19) 0.0461(17) -0.0019(14) 0.0101(13) 0.0036(13)
C21 0.0326(14) 0.0433(15) 0.0394(15) 0.0002(12) 0.0129(12) 0.0027(11)
C22 0.0423(17) 0.061(2) 0.0458(17) 0.0132(15) 0.0115(14) 0.0043(15)
C23 0.0371(18) 0.100(3) 0.066(2) -0.007(2) 0.0246(17) -0.0039(19)
C24 0.0409(15) 0.0366(14) 0.0372(14) 0.0013(11) 0.0203(12) 0.0015(12)
C25 0.0332(13) 0.0317(13) 0.0302(13) -0.0042(10) 0.0105(11) 0.0018(10)
C26 0.0401(15) 0.0357(14) 0.0313(13) 0.0010(11) 0.0093(11) 0.0033(11)
C27 0.0466(16) 0.0345(14) 0.0342(14) 0.0047(11) 0.0139(12) -0.0004(12)
C28 0.0409(15) 0.0316(13) 0.0364(14) 0.0012(11) 0.0141(12) -0.0047(11)
C29 0.0326(13) 0.0278(12) 0.0283(12) -0.0031(10) 0.0127(10) 0.0000(10)
C30 0.0332(13) 0.0241(11) 0.0316(13) -0.0016(10) 0.0130(11) -0.0023(10)
C31 0.0362(13) 0.0247(12) 0.0313(13) 0.0002(10) 0.0134(11) -0.0056(10)
C32 0.0374(14) 0.0268(12) 0.0339(13) -0.0013(10) 0.0140(11) -0.0054(10)
C33 0.0366(14) 0.0316(13) 0.0375(14) 0.0009(11) 0.0091(12) -0.0028(11)
C34 0.0486(16) 0.0309(13) 0.0322(14) 0.0009(11) 0.0122(12) -0.0077(12)
C35 0.0444(15) 0.0323(13) 0.0321(13) -0.0043(11) 0.0160(12) -0.0073(11)
C36 0.0405(14) 0.0262(12) 0.0352(14) -0.0025(10) 0.0161(12) -0.0070(10)
C37 0.0393(15) 0.0476(17) 0.0430(16) -0.0069(13) 0.0160(13) 0.0009(13)
C38 0.056(2) 0.057(2) 0.0354(16) -0.0042(14) 0.0079(14) -0.0054(16)
C39 0.0426(16) 0.0373(15) 0.0441(16) -0.0074(12) 0.0180(13) -0.0024(12)
C40 0.0308(13) 0.0396(14) 0.0334(13) -0.0017(11) 0.0104(11) 0.0015(11)
C41 0.0346(15) 0.0569(19) 0.0420(16) -0.0127(14) 0.0118(13) 0.0022(13)
C42 0.0334(15) 0.066(2) 0.0472(17) -0.0105(16) 0.0135(13) 0.0057(14)
C43 0.0322(14) 0.0533(18) 0.0411(16) 0.0014(14) 0.0087(12) 0.0006(13)
C44 0.0357(15) 0.0434(16) 0.0364(15) -0.0018(12) 0.0059(12) -0.0033(12)
C45 0.0366(15) 0.0484(17) 0.0422(16) -0.0124(14) 0.0083(13) -0.0006(13)
C46 0.0402(17) 0.075(2) 0.063(2) -0.0299(19) 0.0140(16) 0.0050(17)
C47 0.0317(16) 0.077(2) 0.056(2) -0.0040(18) 0.0111(15) -0.0040(16)
C48 0.0329(14) 0.0395(15) 0.0322(13) -0.0021(11) 0.0077(11) 0.0001(11)
C1S 0.154(8) 0.128(7) 0.252(12) 0.035(7) 0.089(8) 0.033(6)
C5S 0.115(7) 0.205(13) 0.34(2) 0.133(13) -0.039(10) -0.030(8)
C4S 0.303(18) 0.205(13) 0.144(9) -0.023(9) -0.023(10) -0.063(13)
C3S 0.320(16) 0.193(11) 0.113(7) -0.023(7) 0.060(9) -0.133(11)
C6S 0.296(18) 0.39(2) 0.146(9) 0.077(12) 0.040(10) -0.193(18)
C2S 0.39(2) 0.172(11) 0.159(10) -0.053(9) 0.024(12) 0.011(13)

_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
Ge1A C1 1.981(3) . ?
Ge1A C29 2.003(3) . ?
Ge1A P1A 2.3194(11) . ?
Ge1A H1GE 1.58(4) . ?
P1A H1PA 1.02(4) . ?
P1A H2PA 1.34(4) . ?
Ge1B C29 1.863(5) . ?
Ge1B C1 2.031(5) . ?
Ge1B P1B 2.331(14) . ?
P1B H1GE 1.61(4) . ?
P1B H1PA 1.68(4) . ?
P1B H2PA 1.62(4) . ?
C1 C6 1.419(4) . ?
C1 C2 1.421(4) . ?
C2 C3 1.398(4) . ?
C2 C16 1.515(4) . ?
C3 C4 1.376(4) . ?
C3 H3A 0.9500 . ?
C4 C5 1.386(4) . ?
C4 H4A 0.9500 . ?
C5 C6 1.395(4) . ?
C5 H5A 0.9500 . ?
C6 C7 1.508(4) . ?
C7 C8 1.405(4) . ?
C7 C12 1.409(4) . ?
C8 C9 1.390(4) . ?
C8 C13 1.499(4) . ?
C9 C10 1.383(5) . ?
C9 H9A 0.9500 . ?
C10 C11 1.384(4) . ?
C10 C14 1.511(5) . ?
C11 C12 1.395(4) . ?
C11 H11A 0.9500 . ?
C12 C15 1.515(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.411(4) . ?
C16 C17 1.413(4) . ?
C17 C18 1.396(4) . ?
C17 C24 1.501(4) . ?
C18 C19 1.376(5) . ?
C18 H18A 0.9500 . ?
C19 C20 1.387(5) . ?
C19 C23 1.503(4) . ?
C20 C21 1.395(4) . ?
C20 H20A 0.9500 . ?
C21 C22 1.507(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.402(4) . ?
C25 C29 1.420(4) . ?
C25 C40 1.515(4) . ?
C26 C27 1.381(4) . ?
C26 H26A 0.9500 . ?
C27 C28 1.378(4) . ?
C27 H27A 0.9500 . ?
C28 C30 1.399(4) . ?
C28 H28A 0.9500 . ?
C29 C30 1.421(3) . ?
C30 C31 1.507(4) . ?
C31 C32 1.403(4) . ?
C31 C36 1.406(4) . ?
C32 C33 1.395(4) . ?
C32 C37 1.502(4) . ?
C33 C34 1.387(4) . ?
C33 H33A 0.9500 . ?
C34 C35 1.390(4) . ?
C34 C38 1.508(4) . ?
C35 C36 1.399(4) . ?
C35 H35A 0.9500 . ?
C36 C39 1.507(4) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C48 1.403(4) . ?
C40 C41 1.410(4) . ?
C41 C42 1.400(4) . ?
C41 C46 1.509(5) . ?
C42 C43 1.379(5) . ?
C42 H42A 0.9500 . ?
C43 C44 1.388(4) . ?
C43 C47 1.516(4) . ?
C44 C48 1.399(4) . ?
C44 H44A 0.9500 . ?
C45 C48 1.499(4) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C1S C2S 1.504(5) . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SC 0.9800 . ?
C5S C6S 1.491(5) . ?
C5S C4S 1.493(5) . ?
C5S H5S1 0.9900 . ?
C5S H5S2 0.9900 . ?
C4S C3S 1.505(5) . ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?
C3S C2S 1.492(5) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C6S H6SA 0.9800 . ?
C6S H6SB 0.9800 . ?
C6S H6SC 0.9800 . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?

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 Ge1A C29 112.50(11) . . ?
C1 Ge1A P1A 114.68(8) . . ?
C29 Ge1A P1A 108.79(8) . . ?
C1 Ge1A H1GE 108.3(12) . . ?
C29 Ge1A H1GE 110.0(13) . . ?
P1A Ge1A H1GE 102.1(13) . . ?
Ge1A P1A H1PA 94(2) . . ?
Ge1A P1A H2PA 92.7(18) . . ?
H1PA P1A H2PA 102(3) . . ?
C29 Ge1B C1 116.5(2) . . ?
C29 Ge1B P1B 109.8(4) . . ?
C1 Ge1B P1B 110.5(4) . . ?
Ge1B P1B H1GE 64.3(13) . . ?
Ge1B P1B H1PA 79.3(13) . . ?
H1GE P1B H1PA 129.1(19) . . ?
Ge1B P1B H2PA 84.8(16) . . ?
H1GE P1B H2PA 136(2) . . ?
H1PA P1B H2PA 68(2) . . ?
C6 C1 C2 118.2(2) . . ?
C6 C1 Ge1A 121.83(19) . . ?
C2 C1 Ge1A 119.95(18) . . ?
C6 C1 Ge1B 111.2(2) . . ?
C2 C1 Ge1B 128.2(2) . . ?
Ge1A C1 Ge1B 17.87(19) . . ?
C3 C2 C1 118.9(2) . . ?
C3 C2 C16 113.2(2) . . ?
C1 C2 C16 127.2(2) . . ?
C4 C3 C2 121.9(3) . . ?
C4 C3 H3A 119.1 . . ?
C2 C3 H3A 119.1 . . ?
C3 C4 C5 119.1(3) . . ?
C3 C4 H4A 120.4 . . ?
C5 C4 H4A 120.4 . . ?
C4 C5 C6 121.1(3) . . ?
C4 C5 H5A 119.4 . . ?
C6 C5 H5A 119.4 . . ?
C5 C6 C1 119.7(2) . . ?
C5 C6 C7 114.9(2) . . ?
C1 C6 C7 125.0(2) . . ?
C8 C7 C12 118.8(3) . . ?
C8 C7 C6 121.9(3) . . ?
C12 C7 C6 118.8(2) . . ?
C9 C8 C7 119.4(3) . . ?
C9 C8 C13 119.8(3) . . ?
C7 C8 C13 120.9(3) . . ?
C10 C9 C8 122.5(3) . . ?
C10 C9 H9A 118.8 . . ?
C8 C9 H9A 118.8 . . ?
C9 C10 C11 117.9(3) . . ?
C9 C10 C14 121.4(3) . . ?
C11 C10 C14 120.7(3) . . ?
C10 C11 C12 121.7(3) . . ?
C10 C11 H11A 119.1 . . ?
C12 C11 H11A 119.1 . . ?
C11 C12 C7 119.7(3) . . ?
C11 C12 C15 118.0(3) . . ?
C7 C12 C15 122.3(3) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 118.6(2) . . ?
C21 C16 C2 117.3(2) . . ?
C17 C16 C2 122.5(2) . . ?
C18 C17 C16 119.7(3) . . ?
C18 C17 C24 118.4(2) . . ?
C16 C17 C24 121.8(2) . . ?
C19 C18 C17 122.1(3) . . ?
C19 C18 H18A 118.9 . . ?
C17 C18 H18A 118.9 . . ?
C18 C19 C20 117.8(3) . . ?
C18 C19 C23 121.0(3) . . ?
C20 C19 C23 121.1(3) . . ?
C19 C20 C21 122.6(3) . . ?
C19 C20 H20A 118.7 . . ?
C21 C20 H20A 118.7 . . ?
C20 C21 C16 119.1(3) . . ?
C20 C21 C22 118.9(3) . . ?
C16 C21 C22 122.0(3) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C17 C24 H24A 109.5 . . ?
C17 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C17 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C29 118.7(2) . . ?
C26 C25 C40 113.7(2) . . ?
C29 C25 C40 126.6(2) . . ?
C27 C26 C25 121.9(3) . . ?
C27 C26 H26A 119.1 . . ?
C25 C26 H26A 119.1 . . ?
C28 C27 C26 119.3(3) . . ?
C28 C27 H27A 120.3 . . ?
C26 C27 H27A 120.3 . . ?
C27 C28 C30 120.9(3) . . ?
C27 C28 H28A 119.5 . . ?
C30 C28 H28A 119.5 . . ?
C25 C29 C30 118.2(2) . . ?
C25 C29 Ge1B 109.9(3) . . ?
C30 C29 Ge1B 131.7(3) . . ?
C25 C29 Ge1A 125.96(19) . . ?
C30 C29 Ge1A 115.59(18) . . ?
Ge1B C29 Ge1A 18.1(2) . . ?
C28 C30 C29 119.9(2) . . ?
C28 C30 C31 116.6(2) . . ?
C29 C30 C31 123.2(2) . . ?
C32 C31 C36 119.2(2) . . ?
C32 C31 C30 121.1(2) . . ?
C36 C31 C30 119.5(2) . . ?
C33 C32 C31 119.4(3) . . ?
C33 C32 C37 119.5(3) . . ?
C31 C32 C37 121.1(2) . . ?
C34 C33 C32 122.2(3) . . ?
C34 C33 H33A 118.9 . . ?
C32 C33 H33A 118.9 . . ?
C33 C34 C35 117.7(3) . . ?
C33 C34 C38 121.3(3) . . ?
C35 C34 C38 120.9(3) . . ?
C34 C35 C36 121.8(3) . . ?
C34 C35 H35A 119.1 . . ?
C36 C35 H35A 119.1 . . ?
C35 C36 C31 119.4(3) . . ?
C35 C36 C39 118.6(3) . . ?
C31 C36 C39 121.9(2) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C48 C40 C41 118.5(3) . . ?
C48 C40 C25 123.9(2) . . ?
C41 C40 C25 116.4(2) . . ?
C42 C41 C40 119.7(3) . . ?
C42 C41 C46 118.0(3) . . ?
C40 C41 C46 122.3(3) . . ?
C43 C42 C41 122.0(3) . . ?
C43 C42 H42A 119.0 . . ?
C41 C42 H42A 119.0 . . ?
C42 C43 C44 117.9(3) . . ?
C42 C43 C47 121.0(3) . . ?
C44 C43 C47 121.1(3) . . ?
C43 C44 C48 122.0(3) . . ?
C43 C44 H44A 119.0 . . ?
C48 C44 H44A 119.0 . . ?
C48 C45 H45A 109.5 . . ?
C48 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C48 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C44 C48 C40 119.7(3) . . ?
C44 C48 C45 118.4(3) . . ?
C40 C48 C45 121.8(3) . . ?
C2S C1S H1SA 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
H1SA C1S H1SB 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
C6S C5S C4S 127.9(11) . . ?
C6S C5S H5S1 105.3 . . ?
C4S C5S H5S1 105.3 . . ?
C6S C5S H5S2 105.3 . . ?
C4S C5S H5S2 105.3 . . ?
H5S1 C5S H5S2 106.0 . . ?
C5S C4S C3S 102.8(9) . . ?
C5S C4S H4SA 111.2 . . ?
C3S C4S H4SA 111.2 . . ?
C5S C4S H4SB 111.2 . . ?
C3S C4S H4SB 111.2 . . ?
H4SA C4S H4SB 109.1 . . ?
C2S C3S C4S 92.6(8) . . ?
C2S C3S H3SA 113.2 . . ?
C4S C3S H3SA 113.2 . . ?
C2S C3S H3SB 113.2 . . ?
C4S C3S H3SB 113.2 . . ?
H3SA C3S H3SB 110.5 . . ?
C5S C6S H6SA 109.5 . . ?
C5S C6S H6SB 109.5 . . ?
H6SA C6S H6SB 109.5 . . ?
C5S C6S H6SC 109.5 . . ?
H6SA C6S H6SC 109.5 . . ?
H6SB C6S H6SC 109.5 . . ?
C3S C2S C1S 110.2(10) . . ?
C3S C2S H2SA 109.6 . . ?
C1S C2S H2SA 109.6 . . ?
C3S C2S H2SB 109.6 . . ?
C1S C2S H2SB 109.6 . . ?
H2SA C2S H2SB 108.1 . . ?

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
C29 Ge1A C1 C6 121.6(2) . . . . ?
P1A Ge1A C1 C6 -3.4(2) . . . . ?
C29 Ge1A C1 C2 -58.5(2) . . . . ?
P1A Ge1A C1 C2 176.47(18) . . . . ?
C29 Ge1A C1 Ge1B 64.2(4) . . . . ?
P1A Ge1A C1 Ge1B -60.9(4) . . . . ?
C29 Ge1B C1 C6 142.8(3) . . . . ?
P1B Ge1B C1 C6 -90.9(5) . . . . ?
C29 Ge1B C1 C2 -19.2(6) . . . . ?
P1B Ge1B C1 C2 107.0(4) . . . . ?
C29 Ge1B C1 Ge1A -87.4(5) . . . . ?
P1B Ge1B C1 Ge1A 38.8(4) . . . . ?
C6 C1 C2 C3 -10.7(4) . . . . ?
Ge1A C1 C2 C3 169.4(2) . . . . ?
Ge1B C1 C2 C3 150.2(3) . . . . ?
C6 C1 C2 C16 158.9(3) . . . . ?
Ge1A C1 C2 C16 -21.0(4) . . . . ?
Ge1B C1 C2 C16 -40.2(5) . . . . ?
C1 C2 C3 C4 3.9(4) . . . . ?
C16 C2 C3 C4 -167.1(3) . . . . ?
C2 C3 C4 C5 4.2(4) . . . . ?
C3 C4 C5 C6 -5.4(4) . . . . ?
C4 C5 C6 C1 -1.6(4) . . . . ?
C4 C5 C6 C7 171.4(3) . . . . ?
C2 C1 C6 C5 9.6(4) . . . . ?
Ge1A C1 C6 C5 -170.5(2) . . . . ?
Ge1B C1 C6 C5 -154.4(3) . . . . ?
C2 C1 C6 C7 -162.6(3) . . . . ?
Ge1A C1 C6 C7 17.3(4) . . . . ?
Ge1B C1 C6 C7 33.4(4) . . . . ?
C5 C6 C7 C8 77.4(4) . . . . ?
C1 C6 C7 C8 -110.1(3) . . . . ?
C5 C6 C7 C12 -94.6(3) . . . . ?
C1 C6 C7 C12 77.9(4) . . . . ?
C12 C7 C8 C9 -1.5(4) . . . . ?
C6 C7 C8 C9 -173.5(3) . . . . ?
C12 C7 C8 C13 179.0(3) . . . . ?
C6 C7 C8 C13 7.0(5) . . . . ?
C7 C8 C9 C10 1.3(5) . . . . ?
C13 C8 C9 C10 -179.2(4) . . . . ?
C8 C9 C10 C11 -1.1(5) . . . . ?
C8 C9 C10 C14 177.4(4) . . . . ?
C9 C10 C11 C12 1.2(5) . . . . ?
C14 C10 C11 C12 -177.3(3) . . . . ?
C10 C11 C12 C7 -1.5(5) . . . . ?
C10 C11 C12 C15 178.8(3) . . . . ?
C8 C7 C12 C11 1.6(4) . . . . ?
C6 C7 C12 C11 173.9(3) . . . . ?
C8 C7 C12 C15 -178.7(3) . . . . ?
C6 C7 C12 C15 -6.4(4) . . . . ?
C3 C2 C16 C21 92.8(3) . . . . ?
C1 C2 C16 C21 -77.3(4) . . . . ?
C3 C2 C16 C17 -72.3(3) . . . . ?
C1 C2 C16 C17 117.6(3) . . . . ?
C21 C16 C17 C18 1.1(4) . . . . ?
C2 C16 C17 C18 166.0(2) . . . . ?
C21 C16 C17 C24 -178.9(3) . . . . ?
C2 C16 C17 C24 -14.0(4) . . . . ?
C16 C17 C18 C19 -0.9(4) . . . . ?
C24 C17 C18 C19 179.1(3) . . . . ?
C17 C18 C19 C20 0.3(5) . . . . ?
C17 C18 C19 C23 179.4(3) . . . . ?
C18 C19 C20 C21 0.2(5) . . . . ?
C23 C19 C20 C21 -179.0(3) . . . . ?
C19 C20 C21 C16 0.0(5) . . . . ?
C19 C20 C21 C22 -178.2(3) . . . . ?
C17 C16 C21 C20 -0.6(4) . . . . ?
C2 C16 C21 C20 -166.4(3) . . . . ?
C17 C16 C21 C22 177.5(3) . . . . ?
C2 C16 C21 C22 11.7(4) . . . . ?
C29 C25 C26 C27 3.8(4) . . . . ?
C40 C25 C26 C27 -165.4(3) . . . . ?
C25 C26 C27 C28 4.6(4) . . . . ?
C26 C27 C28 C30 -5.7(4) . . . . ?
C26 C25 C29 C30 -10.8(4) . . . . ?
C40 C25 C29 C30 156.8(3) . . . . ?
C26 C25 C29 Ge1B 173.1(2) . . . . ?
C40 C25 C29 Ge1B -19.2(4) . . . . ?
C26 C25 C29 Ge1A 163.4(2) . . . . ?
C40 C25 C29 Ge1A -28.9(4) . . . . ?
C1 Ge1B C29 C25 -77.2(4) . . . . ?
P1B Ge1B C29 C25 156.2(4) . . . . ?
C1 Ge1B C29 C30 107.5(4) . . . . ?
P1B Ge1B C29 C30 -19.1(5) . . . . ?
C1 Ge1B C29 Ge1A 76.8(5) . . . . ?
P1B Ge1B C29 Ge1A -49.8(5) . . . . ?
C1 Ge1A C29 C25 -44.6(3) . . . . ?
P1A Ge1A C29 C25 83.6(2) . . . . ?
C1 Ge1A C29 C30 129.86(19) . . . . ?
P1A Ge1A C29 C30 -101.95(18) . . . . ?
C1 Ge1A C29 Ge1B -75.2(4) . . . . ?
P1A Ge1A C29 Ge1B 53.0(4) . . . . ?
C27 C28 C30 C29 -1.5(4) . . . . ?
C27 C28 C30 C31 172.3(3) . . . . ?
C25 C29 C30 C28 9.8(4) . . . . ?
Ge1B C29 C30 C28 -175.2(3) . . . . ?
Ge1A C29 C30 C28 -165.1(2) . . . . ?
C25 C29 C30 C31 -163.6(2) . . . . ?
Ge1B C29 C30 C31 11.4(4) . . . . ?
Ge1A C29 C30 C31 21.5(3) . . . . ?
C28 C30 C31 C32 75.8(3) . . . . ?
C29 C30 C31 C32 -110.6(3) . . . . ?
C28 C30 C31 C36 -98.0(3) . . . . ?
C29 C30 C31 C36 75.6(3) . . . . ?
C36 C31 C32 C33 -4.5(4) . . . . ?
C30 C31 C32 C33 -178.2(2) . . . . ?
C36 C31 C32 C37 175.7(2) . . . . ?
C30 C31 C32 C37 1.9(4) . . . . ?
C31 C32 C33 C34 0.1(4) . . . . ?
C37 C32 C33 C34 179.9(3) . . . . ?
C32 C33 C34 C35 2.9(4) . . . . ?
C32 C33 C34 C38 -176.8(3) . . . . ?
C33 C34 C35 C36 -1.4(4) . . . . ?
C38 C34 C35 C36 178.2(3) . . . . ?
C34 C35 C36 C31 -2.9(4) . . . . ?
C34 C35 C36 C39 174.0(3) . . . . ?
C32 C31 C36 C35 5.8(4) . . . . ?
C30 C31 C36 C35 179.7(2) . . . . ?
C32 C31 C36 C39 -170.9(2) . . . . ?
C30 C31 C36 C39 2.9(4) . . . . ?
C26 C25 C40 C48 -77.8(3) . . . . ?
C29 C25 C40 C48 114.0(3) . . . . ?
C26 C25 C40 C41 89.2(3) . . . . ?
C29 C25 C40 C41 -79.0(4) . . . . ?
C48 C40 C41 C42 -2.5(5) . . . . ?
C25 C40 C41 C42 -170.3(3) . . . . ?
C48 C40 C41 C46 175.3(3) . . . . ?
C25 C40 C41 C46 7.6(5) . . . . ?
C40 C41 C42 C43 1.8(5) . . . . ?
C46 C41 C42 C43 -176.2(3) . . . . ?
C41 C42 C43 C44 -0.3(5) . . . . ?
C41 C42 C43 C47 179.6(3) . . . . ?
C42 C43 C44 C48 -0.3(5) . . . . ?
C47 C43 C44 C48 179.8(3) . . . . ?
C43 C44 C48 C40 -0.5(5) . . . . ?
C43 C44 C48 C45 178.1(3) . . . . ?
C41 C40 C48 C44 1.9(4) . . . . ?
C25 C40 C48 C44 168.7(3) . . . . ?
C41 C40 C48 C45 -176.6(3) . . . . ?
C25 C40 C48 C45 -9.9(4) . . . . ?
C6S C5S C4S C3S 18.6(19) . . . . ?
C5S C4S C3S C2S -178.9(11) . . . . ?
C4S C3S C2S C1S 176.3(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.568
_refine_diff_density_min         -0.745
_refine_diff_density_rms         0.077
_database_code_depnum_ccdc_archive 'CCDC 973191'
#######################################################################
#
#                 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_2Sn

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H53 P Sn'
_chemical_formula_sum            'C48 H53 P Sn'
_chemical_formula_weight         779.56

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/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                   10.3576(11)
_cell_length_b                   22.461(2)
_cell_length_c                   17.5165(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.453(3)
_cell_angle_gamma                90.00
_cell_volume                     4019.8(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    2437
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      19.40

_exptl_crystal_description       rod
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.131
_exptl_crystal_size_mid          0.055
_exptl_crystal_size_min          0.040
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1624
_exptl_absorpt_coefficient_mu    0.707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9131
_exptl_absorpt_correction_T_max  0.9716
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 Refined as a two component twin 
;

_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  'Bruker Apex II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            45865
_diffrn_reflns_av_R_equivalents  0.1663
_diffrn_reflns_av_sigmaI/netI    0.1763
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.49
_diffrn_reflns_theta_max         27.50
_reflns_number_total             9226
_reflns_number_gt                4647
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL=97 (Sheldrick, 1997)'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0740P)^2^+0.7642P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9226
_refine_ls_number_parameters     474
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.1692
_refine_ls_R_factor_gt           0.0661
_refine_ls_wR_factor_ref         0.1888
_refine_ls_wR_factor_gt          0.1475
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0.136
_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
Sn1 Sn 0.26983(4) 0.34943(2) 0.31859(3) 0.02744(15) Uani 1 1 d D . .
H1SN H 0.400(4) 0.400(2) 0.372(3) 0.000(7) Uiso 1 1 d . . .
P1 P 0.26928(19) 0.27429(8) 0.43141(10) 0.0304(4) Uani 1 1 d D . .
H1P H 0.152(2) 0.2938(14) 0.4519(17) 0.000(7) Uiso 1 1 d D . .
H2P H 0.223(4) 0.2265(7) 0.3850(8) 0.000(7) Uiso 1 1 d D . .
C1 C 0.3943(6) 0.3208(3) 0.2355(3) 0.0260(15) Uani 1 1 d . . .
C2 C 0.4576(6) 0.2653(3) 0.2414(3) 0.0249(15) Uani 1 1 d . . .
C3 C 0.5579(6) 0.2539(3) 0.1996(4) 0.0293(16) Uani 1 1 d . . .
H3 H 0.5990 0.2159 0.2035 0.035 Uiso 1 1 calc R . .
C4 C 0.5985(6) 0.2967(3) 0.1526(4) 0.0340(17) Uani 1 1 d . . .
H4 H 0.6692 0.2890 0.1256 0.041 Uiso 1 1 calc R . .
C5 C 0.5351(6) 0.3512(3) 0.1451(3) 0.0311(16) Uani 1 1 d . . .
H5 H 0.5617 0.3805 0.1117 0.037 Uiso 1 1 calc R . .
C6 C 0.4338(6) 0.3641(3) 0.1852(4) 0.0294(16) Uani 1 1 d . . .
C7 C 0.3700(6) 0.4230(3) 0.1683(3) 0.0268(15) Uani 1 1 d . . .
C8 C 0.4193(6) 0.4752(3) 0.2044(4) 0.0328(17) Uani 1 1 d . . .
C9 C 0.3641(7) 0.5298(3) 0.1788(4) 0.0365(18) Uani 1 1 d . . .
H9 H 0.3971 0.5651 0.2047 0.044 Uiso 1 1 calc R . .
C10 C 0.2636(7) 0.5340(3) 0.1174(4) 0.0366(18) Uani 1 1 d . . .
C11 C 0.2079(8) 0.5932(3) 0.0893(4) 0.046(2) Uani 1 1 d . . .
H11A H 0.2284 0.6010 0.0376 0.069 Uiso 1 1 calc R . .
H11B H 0.2461 0.6245 0.1249 0.069 Uiso 1 1 calc R . .
H11C H 0.1127 0.5926 0.0870 0.069 Uiso 1 1 calc R . .
C12 C 0.2150(7) 0.4821(3) 0.0811(4) 0.0340(17) Uani 1 1 d . . .
H12 H 0.1446 0.4845 0.0390 0.041 Uiso 1 1 calc R . .
C13 C 0.2658(7) 0.4264(3) 0.1043(4) 0.0318(17) Uani 1 1 d . . .
C14 C 0.2186(7) 0.3708(3) 0.0596(4) 0.042(2) Uani 1 1 d . . .
H14A H 0.1465 0.3810 0.0181 0.063 Uiso 1 1 calc R . .
H14B H 0.1879 0.3420 0.0945 0.063 Uiso 1 1 calc R . .
H14C H 0.2907 0.3535 0.0372 0.063 Uiso 1 1 calc R . .
C15 C 0.5340(7) 0.4739(4) 0.2703(4) 0.047(2) Uani 1 1 d . . .
H15A H 0.6149 0.4825 0.2502 0.070 Uiso 1 1 calc R . .
H15B H 0.5402 0.4344 0.2943 0.070 Uiso 1 1 calc R . .
H15C H 0.5210 0.5039 0.3089 0.070 Uiso 1 1 calc R . .
C16 C 0.4188(7) 0.2134(3) 0.2855(4) 0.0295(16) Uani 1 1 d . . .
C17 C 0.3199(7) 0.1750(3) 0.2486(4) 0.0373(18) Uani 1 1 d . . .
C18 C 0.2523(7) 0.1886(4) 0.1677(4) 0.051(2) Uani 1 1 d . . .
H18A H 0.1873 0.1576 0.1507 0.076 Uiso 1 1 calc R . .
H18B H 0.3171 0.1896 0.1328 0.076 Uiso 1 1 calc R . .
H18C H 0.2087 0.2273 0.1670 0.076 Uiso 1 1 calc R . .
C19 C 0.2901(8) 0.1234(4) 0.2860(5) 0.051(2) Uani 1 1 d . . .
H19 H 0.2234 0.0978 0.2609 0.061 Uiso 1 1 calc R . .
C20 C 0.3554(10) 0.1087(4) 0.3590(6) 0.055(2) Uani 1 1 d . . .
C21 C 0.4523(8) 0.1463(4) 0.3938(4) 0.047(2) Uani 1 1 d . . .
H21 H 0.4969 0.1362 0.4439 0.057 Uiso 1 1 calc R . .
C22 C 0.4888(7) 0.1989(3) 0.3596(4) 0.0376(18) Uani 1 1 d . . .
C23 C 0.5936(7) 0.2382(4) 0.3998(4) 0.045(2) Uani 1 1 d . . .
H23A H 0.6134 0.2271 0.4546 0.067 Uiso 1 1 calc R . .
H23B H 0.5641 0.2797 0.3952 0.067 Uiso 1 1 calc R . .
H23C H 0.6725 0.2337 0.3761 0.067 Uiso 1 1 calc R . .
C24 C 0.3271(11) 0.0509(4) 0.3982(6) 0.086(4) Uani 1 1 d . . .
H24A H 0.3654 0.0527 0.4532 0.128 Uiso 1 1 calc R . .
H24B H 0.3652 0.0175 0.3737 0.128 Uiso 1 1 calc R . .
H24C H 0.2322 0.0453 0.3932 0.128 Uiso 1 1 calc R . .
C25 C 0.0709(6) 0.3820(3) 0.3165(3) 0.0237(14) Uani 1 1 d . . .
C26 C 0.0548(6) 0.4297(3) 0.3679(3) 0.0283(16) Uani 1 1 d . . .
C27 C -0.0665(6) 0.4383(3) 0.3925(3) 0.0316(17) Uani 1 1 d . . .
H27 H -0.0758 0.4693 0.4280 0.038 Uiso 1 1 calc R . .
C28 C -0.1719(7) 0.4023(3) 0.3659(4) 0.0356(18) Uani 1 1 d . . .
H28 H -0.2525 0.4074 0.3843 0.043 Uiso 1 1 calc R . .
C29 C -0.1589(7) 0.3581(3) 0.3115(4) 0.0355(18) Uani 1 1 d . . .
H29 H -0.2332 0.3349 0.2909 0.043 Uiso 1 1 calc R . .
C30 C -0.0394(6) 0.3471(3) 0.2865(3) 0.0274(15) Uani 1 1 d . . .
C31 C -0.0435(6) 0.3043(3) 0.2221(4) 0.0257(15) Uani 1 1 d . . .
C32 C -0.0520(7) 0.2425(3) 0.2334(4) 0.0339(17) Uani 1 1 d . . .
C33 C -0.0689(7) 0.2047(3) 0.1685(4) 0.0336(17) Uani 1 1 d . . .
H33 H -0.0748 0.1630 0.1762 0.040 Uiso 1 1 calc R . .
C34 C -0.0770(6) 0.2262(3) 0.0944(4) 0.0332(17) Uani 1 1 d . . .
C35 C -0.0935(8) 0.1839(4) 0.0256(4) 0.051(2) Uani 1 1 d . . .
H35A H -0.0104 0.1805 0.0062 0.076 Uiso 1 1 calc R . .
H35B H -0.1609 0.1994 -0.0154 0.076 Uiso 1 1 calc R . .
H35C H -0.1200 0.1446 0.0419 0.076 Uiso 1 1 calc R . .
C36 C -0.0721(7) 0.2872(3) 0.0838(4) 0.0323(17) Uani 1 1 d . . .
H36 H -0.0793 0.3024 0.0327 0.039 Uiso 1 1 calc R . .
C37 C -0.0569(7) 0.3269(3) 0.1459(4) 0.0313(17) Uani 1 1 d . . .
C38 C -0.0634(8) 0.3933(3) 0.1318(4) 0.0412(19) Uani 1 1 d . . .
H38A H -0.1364 0.4102 0.1539 0.062 Uiso 1 1 calc R . .
H38B H -0.0769 0.4010 0.0759 0.062 Uiso 1 1 calc R . .
H38C H 0.0187 0.4118 0.1563 0.062 Uiso 1 1 calc R . .
C39 C -0.0501(8) 0.2160(3) 0.3121(4) 0.046(2) Uani 1 1 d . . .
H39A H -0.1401 0.2109 0.3217 0.069 Uiso 1 1 calc R . .
H39B H -0.0025 0.2425 0.3514 0.069 Uiso 1 1 calc R . .
H39C H -0.0064 0.1772 0.3148 0.069 Uiso 1 1 calc R . .
C40 C 0.1570(6) 0.4766(3) 0.3918(4) 0.0275(15) Uani 1 1 d . . .
C41 C 0.1691(7) 0.5221(3) 0.3392(4) 0.0346(17) Uani 1 1 d . . .
C42 C 0.0815(8) 0.5250(3) 0.2612(4) 0.044(2) Uani 1 1 d . . .
H42A H 0.1079 0.4943 0.2271 0.067 Uiso 1 1 calc R . .
H42B H 0.0892 0.5643 0.2381 0.067 Uiso 1 1 calc R . .
H42C H -0.0095 0.5182 0.2678 0.067 Uiso 1 1 calc R . .
C43 C 0.2625(7) 0.5660(3) 0.3604(4) 0.0344(17) Uani 1 1 d . . .
H43 H 0.2728 0.5964 0.3242 0.041 Uiso 1 1 calc R . .
C44 C 0.3419(7) 0.5671(3) 0.4331(4) 0.0368(18) Uani 1 1 d . . .
C45 C 0.3254(7) 0.5218(3) 0.4847(4) 0.0345(18) Uani 1 1 d . . .
H45 H 0.3783 0.5217 0.5344 0.041 Uiso 1 1 calc R . .
C46 C 0.2347(7) 0.4768(3) 0.4659(4) 0.0312(16) Uani 1 1 d . . .
C47 C 0.2181(7) 0.4297(3) 0.5246(4) 0.0404(19) Uani 1 1 d . . .
H47A H 0.2659 0.4414 0.5754 0.061 Uiso 1 1 calc R . .
H47B H 0.2526 0.3917 0.5090 0.061 Uiso 1 1 calc R . .
H47C H 0.1249 0.4252 0.5277 0.061 Uiso 1 1 calc R . .
C48 C 0.4406(8) 0.6168(4) 0.4545(5) 0.054(2) Uani 1 1 d . . .
H48A H 0.3942 0.6545 0.4579 0.081 Uiso 1 1 calc R . .
H48B H 0.4967 0.6200 0.4148 0.081 Uiso 1 1 calc R . .
H48C H 0.4945 0.6080 0.5046 0.081 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sn1 0.0255(2) 0.0284(3) 0.0295(2) -0.0018(2) 0.00780(17) 0.0033(3)
P1 0.0391(11) 0.0241(10) 0.0311(9) 0.0106(8) 0.0147(8) 0.0136(9)
C1 0.028(4) 0.023(4) 0.028(3) -0.001(3) 0.005(3) -0.001(3)
C2 0.024(4) 0.026(4) 0.025(3) -0.004(3) 0.004(3) -0.002(3)
C3 0.027(4) 0.026(4) 0.035(4) -0.009(3) 0.006(3) 0.008(3)
C4 0.018(4) 0.046(5) 0.039(4) -0.001(3) 0.007(3) 0.000(3)
C5 0.029(4) 0.040(4) 0.026(3) 0.003(3) 0.006(3) -0.004(4)
C6 0.019(3) 0.040(5) 0.028(3) 0.000(3) 0.000(3) -0.003(3)
C7 0.027(4) 0.029(4) 0.025(3) 0.007(3) 0.007(3) 0.004(3)
C8 0.026(4) 0.038(5) 0.035(4) 0.003(3) 0.004(3) -0.004(3)
C9 0.043(5) 0.027(4) 0.038(4) -0.008(3) 0.000(3) -0.002(4)
C10 0.044(5) 0.033(5) 0.034(4) -0.001(3) 0.009(3) 0.002(4)
C11 0.053(5) 0.033(5) 0.050(5) 0.006(4) 0.003(4) 0.008(4)
C12 0.033(4) 0.038(5) 0.029(4) 0.004(3) 0.001(3) 0.002(4)
C13 0.030(4) 0.039(5) 0.029(4) -0.001(3) 0.012(3) -0.001(3)
C14 0.041(5) 0.048(5) 0.033(4) 0.001(3) -0.003(3) 0.004(4)
C15 0.044(5) 0.040(5) 0.050(5) 0.002(4) -0.011(4) -0.008(4)
C16 0.028(4) 0.025(4) 0.038(4) -0.004(3) 0.014(3) 0.002(3)
C17 0.037(4) 0.030(4) 0.051(5) -0.012(3) 0.023(4) -0.004(4)
C18 0.036(5) 0.062(6) 0.053(5) -0.028(4) 0.003(4) -0.012(4)
C19 0.045(5) 0.036(5) 0.079(6) -0.016(5) 0.037(5) -0.011(4)
C20 0.074(7) 0.029(5) 0.076(6) -0.013(5) 0.050(5) -0.011(5)
C21 0.063(5) 0.041(5) 0.044(4) 0.011(4) 0.024(4) 0.011(5)
C22 0.041(5) 0.029(4) 0.046(5) 0.007(3) 0.018(4) 0.008(4)
C23 0.044(5) 0.049(5) 0.040(4) -0.001(4) 0.004(4) -0.001(4)
C24 0.139(10) 0.035(6) 0.102(8) 0.010(5) 0.075(8) -0.017(6)
C25 0.025(4) 0.026(4) 0.021(3) 0.000(3) 0.004(3) 0.002(3)
C26 0.031(4) 0.031(4) 0.023(3) -0.001(3) 0.004(3) 0.006(3)
C27 0.032(4) 0.045(5) 0.018(3) -0.005(3) 0.004(3) 0.010(4)
C28 0.025(4) 0.056(5) 0.026(4) 0.001(3) 0.005(3) 0.019(4)
C29 0.024(4) 0.055(5) 0.028(3) 0.002(3) 0.006(3) 0.001(4)
C30 0.033(4) 0.031(4) 0.018(3) 0.002(3) 0.004(3) 0.010(4)
C31 0.022(4) 0.028(4) 0.028(3) -0.002(3) 0.005(3) 0.001(3)
C32 0.028(4) 0.040(5) 0.036(4) -0.003(3) 0.011(3) -0.003(3)
C33 0.034(4) 0.028(4) 0.040(4) -0.002(3) 0.007(3) -0.002(3)
C34 0.018(4) 0.036(5) 0.046(4) -0.014(3) 0.006(3) -0.005(3)
C35 0.046(5) 0.061(6) 0.047(5) -0.022(4) 0.014(4) -0.011(5)
C36 0.030(4) 0.038(5) 0.029(4) -0.004(3) 0.007(3) -0.001(3)
C37 0.027(4) 0.038(4) 0.029(4) -0.004(3) 0.003(3) -0.006(3)
C38 0.051(5) 0.042(5) 0.031(4) 0.001(3) 0.008(3) -0.001(4)
C39 0.069(6) 0.036(5) 0.037(4) 0.001(3) 0.018(4) -0.011(4)
C40 0.026(4) 0.026(4) 0.030(4) -0.006(3) 0.003(3) 0.004(3)
C41 0.036(4) 0.032(4) 0.035(4) -0.004(3) 0.002(3) 0.011(4)
C42 0.054(5) 0.038(5) 0.039(4) 0.009(4) 0.001(4) 0.006(4)
C43 0.042(4) 0.028(4) 0.035(4) -0.002(3) 0.012(3) 0.005(4)
C44 0.029(4) 0.033(5) 0.050(5) -0.016(4) 0.012(3) 0.004(3)
C45 0.037(4) 0.035(5) 0.029(4) -0.008(3) -0.002(3) 0.014(4)
C46 0.034(4) 0.031(4) 0.028(4) -0.007(3) 0.004(3) 0.013(3)
C47 0.050(5) 0.046(5) 0.024(4) 0.001(3) 0.001(3) 0.008(4)
C48 0.047(5) 0.040(5) 0.072(6) -0.016(4) 0.001(4) -0.007(4)

_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
Sn1 C25 2.181(6) . ?
Sn1 C1 2.193(6) . ?
Sn1 P1 2.5997(17) . ?
Sn1 H1SN 1.90(5) . ?
P1 H1P 1.391(10) . ?
P1 H2P 1.384(10) . ?
C1 C2 1.406(9) . ?
C1 C6 1.415(9) . ?
C2 C3 1.389(9) . ?
C2 C16 1.489(9) . ?
C3 C4 1.376(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(9) . ?
C5 H5 0.9500 . ?
C6 C7 1.488(9) . ?
C7 C8 1.389(9) . ?
C7 C13 1.425(9) . ?
C8 C9 1.394(10) . ?
C8 C15 1.514(9) . ?
C9 C10 1.371(9) . ?
C9 H9 0.9500 . ?
C10 C12 1.384(10) . ?
C10 C11 1.499(10) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.390(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.512(10) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.412(10) . ?
C16 C22 1.417(9) . ?
C17 C19 1.390(11) . ?
C17 C18 1.504(10) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.385(12) . ?
C19 H19 0.9500 . ?
C20 C21 1.376(11) . ?
C20 C24 1.519(11) . ?
C21 C22 1.404(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.484(10) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C30 1.414(9) . ?
C25 C26 1.428(9) . ?
C26 C27 1.406(9) . ?
C26 C40 1.502(9) . ?
C27 C28 1.377(10) . ?
C27 H27 0.9500 . ?
C28 C29 1.397(9) . ?
C28 H28 0.9500 . ?
C29 C30 1.402(9) . ?
C29 H29 0.9500 . ?
C30 C31 1.477(9) . ?
C31 C32 1.405(10) . ?
C31 C37 1.413(9) . ?
C32 C33 1.406(9) . ?
C32 C39 1.499(9) . ?
C33 C34 1.375(9) . ?
C33 H33 0.9500 . ?
C34 C36 1.383(10) . ?
C34 C35 1.522(9) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.396(9) . ?
C36 H36 0.9500 . ?
C37 C38 1.512(10) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.397(10) . ?
C40 C46 1.410(8) . ?
C41 C43 1.389(10) . ?
C41 C42 1.512(9) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.398(9) . ?
C43 H43 0.9500 . ?
C44 C45 1.390(10) . ?
C44 C48 1.519(10) . ?
C45 C46 1.382(10) . ?
C45 H45 0.9500 . ?
C46 C47 1.505(9) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C25 Sn1 C1 138.1(2) . . ?
C25 Sn1 P1 96.33(17) . . ?
C1 Sn1 P1 112.91(18) . . ?
C25 Sn1 H1SN 113.5(14) . . ?
C1 Sn1 H1SN 93.3(14) . . ?
P1 Sn1 H1SN 96.1(14) . . ?
Sn1 P1 H1P 95.9(5) . . ?
Sn1 P1 H2P 95.8(5) . . ?
H1P P1 H2P 99(3) . . ?
C2 C1 C6 118.4(6) . . ?
C2 C1 Sn1 122.0(5) . . ?
C6 C1 Sn1 118.2(5) . . ?
C3 C2 C1 120.3(6) . . ?
C3 C2 C16 114.8(6) . . ?
C1 C2 C16 124.7(6) . . ?
C4 C3 C2 121.0(6) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 119.2(6) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C6 C5 C4 121.5(7) . . ?
C6 C5 H5 119.2 . . ?
C4 C5 H5 119.2 . . ?
C5 C6 C1 119.5(6) . . ?
C5 C6 C7 115.6(6) . . ?
C1 C6 C7 124.8(6) . . ?
C8 C7 C13 119.2(6) . . ?
C8 C7 C6 122.8(6) . . ?
C13 C7 C6 117.3(6) . . ?
C7 C8 C9 119.6(6) . . ?
C7 C8 C15 120.9(6) . . ?
C9 C8 C15 119.4(6) . . ?
C10 C9 C8 122.2(7) . . ?
C10 C9 H9 118.9 . . ?
C8 C9 H9 118.9 . . ?
C9 C10 C12 118.2(7) . . ?
C9 C10 C11 121.5(7) . . ?
C12 C10 C11 120.3(6) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 C13 122.2(6) . . ?
C10 C12 H12 118.9 . . ?
C13 C12 H12 118.9 . . ?
C12 C13 C7 118.6(6) . . ?
C12 C13 C14 121.1(6) . . ?
C7 C13 C14 120.1(6) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C8 C15 H15A 109.5 . . ?
C8 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C8 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C22 120.1(7) . . ?
C17 C16 C2 118.5(6) . . ?
C22 C16 C2 121.0(6) . . ?
C19 C17 C16 119.6(8) . . ?
C19 C17 C18 120.5(7) . . ?
C16 C17 C18 119.9(7) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C17 121.5(8) . . ?
C20 C19 H19 119.3 . . ?
C17 C19 H19 119.3 . . ?
C21 C20 C19 118.2(8) . . ?
C21 C20 C24 120.3(9) . . ?
C19 C20 C24 121.4(9) . . ?
C20 C21 C22 123.7(8) . . ?
C20 C21 H21 118.1 . . ?
C22 C21 H21 118.1 . . ?
C21 C22 C16 116.9(7) . . ?
C21 C22 C23 121.7(7) . . ?
C16 C22 C23 121.4(6) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C24 H24A 109.5 . . ?
C20 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C20 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C30 C25 C26 118.7(6) . . ?
C30 C25 Sn1 121.6(5) . . ?
C26 C25 Sn1 116.7(5) . . ?
C27 C26 C25 119.9(6) . . ?
C27 C26 C40 116.3(6) . . ?
C25 C26 C40 123.5(6) . . ?
C28 C27 C26 121.0(6) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C27 C28 C29 119.2(6) . . ?
C27 C28 H28 120.4 . . ?
C29 C28 H28 120.4 . . ?
C28 C29 C30 121.9(7) . . ?
C28 C29 H29 119.1 . . ?
C30 C29 H29 119.1 . . ?
C29 C30 C25 119.1(6) . . ?
C29 C30 C31 116.0(6) . . ?
C25 C30 C31 124.4(6) . . ?
C32 C31 C37 119.3(6) . . ?
C32 C31 C30 122.0(6) . . ?
C37 C31 C30 118.2(6) . . ?
C31 C32 C33 118.9(6) . . ?
C31 C32 C39 122.0(6) . . ?
C33 C32 C39 119.0(7) . . ?
C34 C33 C32 122.1(7) . . ?
C34 C33 H33 118.9 . . ?
C32 C33 H33 118.9 . . ?
C33 C34 C36 118.4(6) . . ?
C33 C34 C35 120.6(7) . . ?
C36 C34 C35 120.9(7) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 C37 122.0(7) . . ?
C34 C36 H36 119.0 . . ?
C37 C36 H36 119.0 . . ?
C36 C37 C31 119.1(7) . . ?
C36 C37 C38 120.4(6) . . ?
C31 C37 C38 120.3(6) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C32 C39 H39A 109.5 . . ?
C32 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C32 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C46 120.3(6) . . ?
C41 C40 C26 117.7(6) . . ?
C46 C40 C26 121.9(6) . . ?
C43 C41 C40 118.5(6) . . ?
C43 C41 C42 120.0(7) . . ?
C40 C41 C42 121.4(7) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 C44 122.4(7) . . ?
C41 C43 H43 118.8 . . ?
C44 C43 H43 118.8 . . ?
C45 C44 C43 117.5(7) . . ?
C45 C44 C48 121.9(7) . . ?
C43 C44 C48 120.6(7) . . ?
C46 C45 C44 122.2(6) . . ?
C46 C45 H45 118.9 . . ?
C44 C45 H45 118.9 . . ?
C45 C46 C40 119.0(6) . . ?
C45 C46 C47 120.1(6) . . ?
C40 C46 C47 120.9(6) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C44 C48 H48A 109.5 . . ?
C44 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C44 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?

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
C25 Sn1 C1 C2 -126.0(5) . . . . ?
P1 Sn1 C1 C2 4.5(6) . . . . ?
C25 Sn1 C1 C6 67.7(6) . . . . ?
P1 Sn1 C1 C6 -161.8(4) . . . . ?
C6 C1 C2 C3 1.0(9) . . . . ?
Sn1 C1 C2 C3 -165.3(5) . . . . ?
C6 C1 C2 C16 -173.8(6) . . . . ?
Sn1 C1 C2 C16 19.9(9) . . . . ?
C1 C2 C3 C4 0.9(10) . . . . ?
C16 C2 C3 C4 176.2(6) . . . . ?
C2 C3 C4 C5 -2.2(10) . . . . ?
C3 C4 C5 C6 1.5(10) . . . . ?
C4 C5 C6 C1 0.4(10) . . . . ?
C4 C5 C6 C7 -176.7(6) . . . . ?
C2 C1 C6 C5 -1.7(9) . . . . ?
Sn1 C1 C6 C5 165.2(5) . . . . ?
C2 C1 C6 C7 175.2(6) . . . . ?
Sn1 C1 C6 C7 -17.9(8) . . . . ?
C5 C6 C7 C8 -83.9(8) . . . . ?
C1 C6 C7 C8 99.1(8) . . . . ?
C5 C6 C7 C13 86.6(7) . . . . ?
C1 C6 C7 C13 -90.4(8) . . . . ?
C13 C7 C8 C9 1.6(10) . . . . ?
C6 C7 C8 C9 171.9(6) . . . . ?
C13 C7 C8 C15 -177.2(6) . . . . ?
C6 C7 C8 C15 -6.9(10) . . . . ?
C7 C8 C9 C10 -1.5(11) . . . . ?
C15 C8 C9 C10 177.3(7) . . . . ?
C8 C9 C10 C12 1.2(11) . . . . ?
C8 C9 C10 C11 -178.3(7) . . . . ?
C9 C10 C12 C13 -0.9(11) . . . . ?
C11 C10 C12 C13 178.6(7) . . . . ?
C10 C12 C13 C7 1.0(10) . . . . ?
C10 C12 C13 C14 -174.8(7) . . . . ?
C8 C7 C13 C12 -1.3(9) . . . . ?
C6 C7 C13 C12 -172.2(6) . . . . ?
C8 C7 C13 C14 174.5(6) . . . . ?
C6 C7 C13 C14 3.7(9) . . . . ?
C3 C2 C16 C17 -89.6(8) . . . . ?
C1 C2 C16 C17 85.4(8) . . . . ?
C3 C2 C16 C22 83.3(8) . . . . ?
C1 C2 C16 C22 -101.6(8) . . . . ?
C22 C16 C17 C19 1.2(10) . . . . ?
C2 C16 C17 C19 174.2(6) . . . . ?
C22 C16 C17 C18 -175.7(6) . . . . ?
C2 C16 C17 C18 -2.7(10) . . . . ?
C16 C17 C19 C20 -0.1(11) . . . . ?
C18 C17 C19 C20 176.9(7) . . . . ?
C17 C19 C20 C21 -0.5(12) . . . . ?
C17 C19 C20 C24 -177.2(7) . . . . ?
C19 C20 C21 C22 -0.1(12) . . . . ?
C24 C20 C21 C22 176.6(7) . . . . ?
C20 C21 C22 C16 1.2(11) . . . . ?
C20 C21 C22 C23 179.7(7) . . . . ?
C17 C16 C22 C21 -1.8(10) . . . . ?
C2 C16 C22 C21 -174.6(6) . . . . ?
C17 C16 C22 C23 179.8(7) . . . . ?
C2 C16 C22 C23 7.0(10) . . . . ?
C1 Sn1 C25 C30 61.5(6) . . . . ?
P1 Sn1 C25 C30 -73.7(5) . . . . ?
C1 Sn1 C25 C26 -138.4(5) . . . . ?
P1 Sn1 C25 C26 86.4(5) . . . . ?
C30 C25 C26 C27 5.0(9) . . . . ?
Sn1 C25 C26 C27 -155.7(5) . . . . ?
C30 C25 C26 C40 -168.3(6) . . . . ?
Sn1 C25 C26 C40 31.0(8) . . . . ?
C25 C26 C27 C28 -2.0(10) . . . . ?
C40 C26 C27 C28 171.8(6) . . . . ?
C26 C27 C28 C29 -2.4(10) . . . . ?
C27 C28 C29 C30 3.7(10) . . . . ?
C28 C29 C30 C25 -0.6(10) . . . . ?
C28 C29 C30 C31 -172.9(6) . . . . ?
C26 C25 C30 C29 -3.7(9) . . . . ?
Sn1 C25 C30 C29 156.0(5) . . . . ?
C26 C25 C30 C31 167.8(6) . . . . ?
Sn1 C25 C30 C31 -32.5(8) . . . . ?
C29 C30 C31 C32 -76.4(8) . . . . ?
C25 C30 C31 C32 111.9(8) . . . . ?
C29 C30 C31 C37 95.1(8) . . . . ?
C25 C30 C31 C37 -76.7(8) . . . . ?
C37 C31 C32 C33 2.3(10) . . . . ?
C30 C31 C32 C33 173.6(6) . . . . ?
C37 C31 C32 C39 -174.7(7) . . . . ?
C30 C31 C32 C39 -3.4(11) . . . . ?
C31 C32 C33 C34 0.1(11) . . . . ?
C39 C32 C33 C34 177.2(7) . . . . ?
C32 C33 C34 C36 -1.9(11) . . . . ?
C32 C33 C34 C35 179.2(7) . . . . ?
C33 C34 C36 C37 1.1(11) . . . . ?
C35 C34 C36 C37 -179.9(6) . . . . ?
C34 C36 C37 C31 1.3(11) . . . . ?
C34 C36 C37 C38 -174.8(7) . . . . ?
C32 C31 C37 C36 -3.0(10) . . . . ?
C30 C31 C37 C36 -174.6(6) . . . . ?
C32 C31 C37 C38 173.1(7) . . . . ?
C30 C31 C37 C38 1.5(10) . . . . ?
C27 C26 C40 C41 -95.7(7) . . . . ?
C25 C26 C40 C41 77.8(8) . . . . ?
C27 C26 C40 C46 81.5(8) . . . . ?
C25 C26 C40 C46 -105.0(8) . . . . ?
C46 C40 C41 C43 2.4(10) . . . . ?
C26 C40 C41 C43 179.6(6) . . . . ?
C46 C40 C41 C42 -176.3(6) . . . . ?
C26 C40 C41 C42 0.9(10) . . . . ?
C40 C41 C43 C44 -1.8(10) . . . . ?
C42 C41 C43 C44 176.9(6) . . . . ?
C41 C43 C44 C45 0.6(10) . . . . ?
C41 C43 C44 C48 -178.6(7) . . . . ?
C43 C44 C45 C46 0.1(10) . . . . ?
C48 C44 C45 C46 179.2(7) . . . . ?
C44 C45 C46 C40 0.6(10) . . . . ?
C44 C45 C46 C47 -178.3(6) . . . . ?
C41 C40 C46 C45 -1.8(10) . . . . ?
C26 C40 C46 C45 -178.9(6) . . . . ?
C41 C40 C46 C47 177.0(6) . . . . ?
C26 C40 C46 C47 -0.1(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.557
_refine_diff_density_min         -0.960
_refine_diff_density_rms         0.133

_database_code_depnum_ccdc_archive 'CCDC 973192'