#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:12:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179317 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/14/4321427.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4321427
loop_
_publ_author_name
'Matthias Westerhausen'
'Mathias Krofta'
'Peter Mayer'
'Marcus Warchhold'
'Heinrich Nöth'
_publ_contact_author
;
    Matthias Westerhausen
    Department Chemie
    Ludwig-Maximilians-Universitaet Muenchen
    Butenandtstr. 9 (Haus D)
    D-81377 Muenchen
    Germany
;
_publ_contact_author_email       maw@cup.uni-muenchen.de
_publ_contact_author_fax         '+49 (89) 2180 7867'
_publ_contact_author_phone       '+49 (89) 2180 7481'
_publ_section_title
;
 Polyhedral Members of the Mg2nP2m Family Derived from Dimeric Magnesium
 Trialkylsilylphosphandiide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4721
_journal_page_last               4724
_journal_paper_doi               10.1021/ic000038c
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         Mg2[PHSiBu3][PSiBu3]
_chemical_formula_sum            'C36 H83 Mg2 P3 Si3'
_chemical_formula_weight         741.82
_chemical_name_systematic
; 
 tetramagnesium bis[tri(tert-butylsilyl)phosphanide] 
bis[tri(tert-butyl)silylphosphandiide] 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.4150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9513(10)
_cell_length_b                   14.2692(10)
_cell_length_c                   24.2088(17)
_cell_measurement_temperature    183(2)
_cell_volume                     4706.6(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.718
_diffrn_measured_fraction_theta_max 0.718
_diffrn_measurement_device_type  Siemens-P4/SMART-CCD
_diffrn_measurement_method       area-detector
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0808
_diffrn_reflns_av_sigmaI/netI    0.0533
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            26700
_diffrn_reflns_theta_full        29.04
_diffrn_reflns_theta_max         29.04
_diffrn_reflns_theta_min         2.07
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.251
_exptl_absorpt_correction_T_max  0.9284
_exptl_absorpt_correction_T_min  0.9062
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.047
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             1640
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.644
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         9013
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1065P)²+3.4329P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1569
_refine_ls_wR_factor_ref         0.1750
_reflns_number_gt                7189
_reflns_number_total             9013
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000038c_2.cif
_cod_data_source_block           Mg4P6
_cod_database_code               4321427
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'
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
Mg1 Mg 0.01257(7) 0.61588(6) 0.05237(4) 0.0286(2) Uani 1 1 d . . .
Mg2 Mg -0.10349(7) 0.44061(6) 0.04050(4) 0.0303(2) Uani 1 1 d . . .
P1 P 0.08811(5) 0.44797(4) 0.04542(3) 0.02482(17) Uani 1 1 d . . .
Si1 Si 0.20523(5) 0.37580(5) 0.11187(3) 0.02660(18) Uani 1 1 d . . .
P2 P 0.12770(5) 0.72066(4) 0.00642(3) 0.02867(18) Uani 1 1 d . . .
H2 H 0.056(2) 0.766(2) -0.0266(14) 0.046(9) Uiso 1 1 d . . .
Si2 Si 0.24433(5) 0.83475(5) 0.01265(3) 0.02679(18) Uani 1 1 d . . .
P3 P -0.10641(7) 0.56507(6) 0.11452(3) 0.0447(2) Uani 1 1 d . . .
H3 H -0.017(4) 0.522(4) 0.160(2) 0.121(19) Uiso 1 1 d . . .
Si3 Si -0.16973(6) 0.61135(5) 0.18857(3) 0.02907(19) Uani 1 1 d . . .
C11 C 0.3007(2) 0.3189(2) 0.07344(12) 0.0351(6) Uani 1 1 d . . .
C111 C 0.3741(2) 0.2528(2) 0.11188(14) 0.0446(7) Uani 1 1 d . . .
H11A H 0.4188 0.2271 0.0908 0.067 Uiso 1 1 calc R . .
H11B H 0.3388 0.2028 0.1251 0.067 Uiso 1 1 calc R . .
H11C H 0.4102 0.2873 0.1436 0.067 Uiso 1 1 calc R . .
C112 C 0.3614(2) 0.3956(2) 0.05173(15) 0.0481(8) Uani 1 1 d . . .
H11D H 0.4079 0.3668 0.0330 0.072 Uiso 1 1 calc R . .
H11E H 0.3957 0.4322 0.0831 0.072 Uiso 1 1 calc R . .
H11F H 0.3183 0.4355 0.0256 0.072 Uiso 1 1 calc R . .
C113 C 0.2488(2) 0.2624(2) 0.02162(13) 0.0444(7) Uani 1 1 d . . .
H11G H 0.2969 0.2351 0.0035 0.067 Uiso 1 1 calc R . .
H11H H 0.2067 0.3032 -0.0044 0.067 Uiso 1 1 calc R . .
H11I H 0.2103 0.2136 0.0334 0.067 Uiso 1 1 calc R . .
C12 C 0.2669(2) 0.47155(18) 0.16591(11) 0.0348(6) Uani 1 1 d . . .
C121 C 0.1974(2) 0.5019(2) 0.20390(13) 0.0450(8) Uani 1 1 d . . .
H12A H 0.2289 0.5487 0.2301 0.068 Uiso 1 1 calc R . .
H12B H 0.1815 0.4486 0.2244 0.068 Uiso 1 1 calc R . .
H12C H 0.1383 0.5272 0.1809 0.068 Uiso 1 1 calc R . .
C122 C 0.3646(2) 0.4408(2) 0.20466(13) 0.0469(8) Uani 1 1 d . . .
H12D H 0.3902 0.4911 0.2299 0.070 Uiso 1 1 calc R . .
H12E H 0.4109 0.4251 0.1820 0.070 Uiso 1 1 calc R . .
H12F H 0.3534 0.3870 0.2263 0.070 Uiso 1 1 calc R . .
C123 C 0.2898(3) 0.5608(2) 0.13552(14) 0.0485(9) Uani 1 1 d . . .
H12G H 0.3198 0.6063 0.1630 0.073 Uiso 1 1 calc R . .
H12H H 0.2300 0.5859 0.1133 0.073 Uiso 1 1 calc R . .
H12I H 0.3337 0.5458 0.1113 0.073 Uiso 1 1 calc R . .
C13 C 0.1472(2) 0.27830(17) 0.15148(11) 0.0300(6) Uani 1 1 d . . .
C131 C 0.1262(2) 0.18762(19) 0.11654(13) 0.0387(7) Uani 1 1 d . . .
H13A H 0.0980 0.1419 0.1374 0.058 Uiso 1 1 calc R . .
H13B H 0.1864 0.1637 0.1090 0.058 Uiso 1 1 calc R . .
H13C H 0.0812 0.2007 0.0815 0.058 Uiso 1 1 calc R . .
C132 C 0.2138(2) 0.2505(2) 0.20884(12) 0.0423(7) Uani 1 1 d . . .
H13D H 0.1820 0.2028 0.2264 0.063 Uiso 1 1 calc R . .
H13E H 0.2255 0.3044 0.2331 0.063 Uiso 1 1 calc R . .
H13F H 0.2751 0.2271 0.2027 0.063 Uiso 1 1 calc R . .
C133 C 0.0489(2) 0.3109(2) 0.16336(12) 0.0365(6) Uani 1 1 d . . .
H13G H 0.0218 0.2621 0.1827 0.055 Uiso 1 1 calc R . .
H13H H 0.0042 0.3247 0.1283 0.055 Uiso 1 1 calc R . .
H13I H 0.0590 0.3661 0.1865 0.055 Uiso 1 1 calc R . .
C21 C 0.1942(2) 0.92738(19) -0.04571(12) 0.0364(6) Uani 1 1 d . . .
C211 C 0.1118(3) 0.9863(2) -0.02945(15) 0.0503(8) Uani 1 1 d . . .
H21A H 0.0882 1.0313 -0.0587 0.075 Uiso 1 1 calc R . .
H21B H 0.1369 1.0183 0.0055 0.075 Uiso 1 1 calc R . .
H21C H 0.0589 0.9458 -0.0251 0.075 Uiso 1 1 calc R . .
C212 C 0.1496(2) 0.8833(2) -0.10327(13) 0.0448(8) Uani 1 1 d . . .
H21D H 0.1263 0.9319 -0.1302 0.067 Uiso 1 1 calc R . .
H21E H 0.0960 0.8433 -0.0997 0.067 Uiso 1 1 calc R . .
H21F H 0.1988 0.8470 -0.1159 0.067 Uiso 1 1 calc R . .
C213 C 0.2760(3) 0.9958(2) -0.05430(14) 0.0473(8) Uani 1 1 d . . .
H21G H 0.2492 1.0404 -0.0832 0.071 Uiso 1 1 calc R . .
H21H H 0.3277 0.9612 -0.0655 0.071 Uiso 1 1 calc R . .
H21I H 0.3018 1.0282 -0.0195 0.071 Uiso 1 1 calc R . .
C22 C 0.3616(2) 0.77324(19) -0.00170(12) 0.0354(6) Uani 1 1 d . . .
C221 C 0.3787(2) 0.6792(2) 0.03006(14) 0.0433(7) Uani 1 1 d . . .
H22A H 0.4365 0.6498 0.0226 0.065 Uiso 1 1 calc R . .
H22B H 0.3231 0.6390 0.0174 0.065 Uiso 1 1 calc R . .
H22C H 0.3871 0.6901 0.0699 0.065 Uiso 1 1 calc R . .
C222 C 0.4547(2) 0.8335(2) 0.01678(16) 0.0490(8) Uani 1 1 d . . .
H22D H 0.5102 0.8005 0.0089 0.073 Uiso 1 1 calc R . .
H22E H 0.4652 0.8460 0.0566 0.073 Uiso 1 1 calc R . .
H22F H 0.4465 0.8917 -0.0037 0.073 Uiso 1 1 calc R . .
C223 C 0.3504(3) 0.7498(2) -0.06483(14) 0.0488(8) Uani 1 1 d . . .
H22G H 0.4090 0.7197 -0.0706 0.073 Uiso 1 1 calc R . .
H22H H 0.3398 0.8065 -0.0866 0.073 Uiso 1 1 calc R . .
H22I H 0.2954 0.7086 -0.0766 0.073 Uiso 1 1 calc R . .
C23 C 0.2639(2) 0.88862(19) 0.08807(12) 0.0372(7) Uani 1 1 d . . .
C231 C 0.3243(3) 0.8217(2) 0.13230(13) 0.0513(9) Uani 1 1 d . . .
H23A H 0.3332 0.8493 0.1692 0.077 Uiso 1 1 calc R . .
H23B H 0.3872 0.8108 0.1234 0.077 Uiso 1 1 calc R . .
H23C H 0.2901 0.7632 0.1318 0.077 Uiso 1 1 calc R . .
C232 C 0.1656(3) 0.9043(3) 0.10604(15) 0.0539(9) Uani 1 1 d . . .
H23D H 0.1779 0.9308 0.1433 0.081 Uiso 1 1 calc R . .
H23E H 0.1323 0.8454 0.1061 0.081 Uiso 1 1 calc R . .
H23F H 0.1255 0.9463 0.0799 0.081 Uiso 1 1 calc R . .
C233 C 0.3192(3) 0.9830(2) 0.09334(14) 0.0476(8) Uani 1 1 d . . .
H23G H 0.3268 1.0064 0.1312 0.071 Uiso 1 1 calc R . .
H23H H 0.2824 1.0273 0.0673 0.071 Uiso 1 1 calc R . .
H23I H 0.3826 0.9740 0.0848 0.071 Uiso 1 1 calc R . .
C31 C -0.1100(3) 0.7318(2) 0.21043(17) 0.0600(10) Uani 1 1 d . . .
C311 C 0.0018(3) 0.7287(3) 0.2149(2) 0.0754(13) Uani 1 1 d . . .
H31A H 0.0293 0.7893 0.2258 0.113 Uiso 1 1 calc R . .
H31B H 0.0151 0.7117 0.1790 0.113 Uiso 1 1 calc R . .
H31C H 0.0306 0.6833 0.2428 0.113 Uiso 1 1 calc R . .
C312 C -0.1525(4) 0.8065(3) 0.1672(3) 0.123(3) Uani 1 1 d . . .
H31D H -0.1221 0.8657 0.1787 0.185 Uiso 1 1 calc R . .
H31E H -0.2220 0.8113 0.1646 0.185 Uiso 1 1 calc R . .
H31F H -0.1403 0.7896 0.1309 0.185 Uiso 1 1 calc R . .
C313 C -0.1263(4) 0.7631(4) 0.2688(3) 0.118(3) Uani 1 1 d . . .
H31G H -0.0959 0.8230 0.2783 0.178 Uiso 1 1 calc R . .
H31H H -0.0977 0.7179 0.2969 0.178 Uiso 1 1 calc R . .
H31I H -0.1954 0.7679 0.2674 0.178 Uiso 1 1 calc R . .
C32 C -0.1316(3) 0.5174(3) 0.24673(15) 0.0654(12) Uani 1 1 d . . .
C321 C -0.0243(4) 0.5221(5) 0.2747(2) 0.113(2) Uani 1 1 d . . .
H32A H -0.0093 0.4742 0.3031 0.170 Uiso 1 1 calc R . .
H32B H -0.0097 0.5825 0.2920 0.170 Uiso 1 1 calc R . .
H32C H 0.0145 0.5127 0.2469 0.170 Uiso 1 1 calc R . .
C322 C -0.1507(4) 0.4178(3) 0.2224(3) 0.107(2) Uani 1 1 d . . .
H32D H -0.1312 0.3727 0.2521 0.161 Uiso 1 1 calc R . .
H32E H -0.1136 0.4082 0.1938 0.161 Uiso 1 1 calc R . .
H32F H -0.2194 0.4105 0.2060 0.161 Uiso 1 1 calc R . .
C323 C -0.1952(5) 0.5260(5) 0.2931(2) 0.133(3) Uani 1 1 d . . .
H32G H -0.1752 0.4789 0.3215 0.199 Uiso 1 1 calc R . .
H32H H -0.2633 0.5175 0.2757 0.199 Uiso 1 1 calc R . .
H32I H -0.1859 0.5869 0.3102 0.199 Uiso 1 1 calc R . .
C33 C -0.3110(3) 0.6184(2) 0.16285(15) 0.0496(8) Uani 1 1 d . . .
C331 C -0.3356(4) 0.6657(5) 0.1042(2) 0.119(2) Uani 1 1 d . . .
H33A H -0.4055 0.6694 0.0912 0.179 Uiso 1 1 calc R . .
H33B H -0.3083 0.6295 0.0779 0.179 Uiso 1 1 calc R . .
H33C H -0.3082 0.7277 0.1069 0.179 Uiso 1 1 calc R . .
C332 C -0.3619(3) 0.6693(4) 0.2032(3) 0.102(2) Uani 1 1 d . . .
H33D H -0.4313 0.6703 0.1879 0.153 Uiso 1 1 calc R . .
H33E H -0.3377 0.7324 0.2083 0.153 Uiso 1 1 calc R . .
H33F H -0.3489 0.6376 0.2390 0.153 Uiso 1 1 calc R . .
C333 C -0.3579(3) 0.5216(4) 0.1508(2) 0.0859(15) Uani 1 1 d . . .
H33G H -0.4277 0.5284 0.1382 0.129 Uiso 1 1 calc R . .
H33H H -0.3439 0.4847 0.1847 0.129 Uiso 1 1 calc R . .
H33I H -0.3317 0.4911 0.1220 0.129 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.0486 0.0363 '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'
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
P3 Mg1 P2 160.67(4) . . ?
P3 Mg1 P1 95.64(4) . . ?
P2 Mg1 P1 101.66(4) . . ?
P3 Mg1 P1 98.13(4) . 3_565 ?
P2 Mg1 P1 94.18(4) . 3_565 ?
P1 Mg1 P1 76.84(3) . 3_565 ?
P3 Mg1 Mg2 144.45(4) . 3_565 ?
P2 Mg1 Mg2 54.67(3) . 3_565 ?
P1 Mg1 Mg2 56.96(3) . 3_565 ?
P1 Mg1 Mg2 56.66(3) 3_565 3_565 ?
P3 Mg1 Mg2 53.87(3) . . ?
P2 Mg1 Mg2 144.70(4) . . ?
P1 Mg1 Mg2 56.21(3) . . ?
P1 Mg1 Mg2 56.44(3) 3_565 . ?
Mg2 Mg1 Mg2 90.64(3) 3_565 . ?
P3 Mg2 P2 157.84(5) . 3_565 ?
P3 Mg2 P1 96.31(4) . . ?
P2 Mg2 P1 95.23(4) 3_565 . ?
P3 Mg2 P1 98.65(4) . 3_565 ?
P2 Mg2 P1 102.45(4) 3_565 3_565 ?
P1 Mg2 P1 76.22(3) . 3_565 ?
P3 Mg2 Mg1 144.53(4) . 3_565 ?
P2 Mg2 Mg1 56.47(3) 3_565 3_565 ?
P1 Mg2 Mg1 56.32(3) . 3_565 ?
P1 Mg2 Mg1 56.12(3) 3_565 3_565 ?
P3 Mg2 Mg1 55.23(3) . . ?
P2 Mg2 Mg1 145.20(4) 3_565 . ?
P1 Mg2 Mg1 55.74(3) . . ?
P1 Mg2 Mg1 55.74(3) 3_565 . ?
Mg1 Mg2 Mg1 89.36(3) 3_565 . ?
Si1 P1 Mg1 126.97(4) . . ?
Si1 P1 Mg1 129.76(4) . 3_565 ?
Mg1 P1 Mg1 103.16(3) . 3_565 ?
Si1 P1 Mg2 125.23(4) . . ?
Mg1 P1 Mg2 68.04(3) . . ?
Mg1 P1 Mg2 67.02(3) 3_565 . ?
Si1 P1 Mg2 130.96(4) . 3_565 ?
Mg1 P1 Mg2 66.92(3) . 3_565 ?
Mg1 P1 Mg2 67.82(3) 3_565 3_565 ?
Mg2 P1 Mg2 103.78(3) . 3_565 ?
C11 Si1 C12 111.14(13) . . ?
C11 Si1 C13 109.43(12) . . ?
C12 Si1 C13 109.67(12) . . ?
C11 Si1 P1 108.07(8) . . ?
C12 Si1 P1 107.57(8) . . ?
C13 Si1 P1 110.94(8) . . ?
Si2 P2 Mg2 134.05(4) . 3_565 ?
Si2 P2 Mg1 151.00(4) . . ?
Mg2 P2 Mg1 68.86(3) 3_565 . ?
Si2 P2 H2 97.3(14) . . ?
Mg2 P2 H2 99.3(14) 3_565 . ?
Mg1 P2 H2 95.0(15) . . ?
C23 Si2 C21 111.60(13) . . ?
C23 Si2 C22 112.99(13) . . ?
C21 Si2 C22 111.05(13) . . ?
C23 Si2 P2 107.34(10) . . ?
C21 Si2 P2 107.20(9) . . ?
C22 Si2 P2 106.28(9) . . ?
Si3 P3 Mg2 146.65(5) . . ?
Si3 P3 Mg1 142.44(4) . . ?
Mg2 P3 Mg1 70.91(3) . . ?
Si3 P3 H3 86.9(19) . . ?
Mg2 P3 H3 95(2) . . ?
Mg1 P3 H3 90.3(19) . . ?
C32 Si3 C31 112.47(19) . . ?
C32 Si3 C33 111.81(17) . . ?
C31 Si3 C33 112.95(15) . . ?
C32 Si3 P3 106.37(12) . . ?
C31 Si3 P3 104.94(14) . . ?
C33 Si3 P3 107.72(11) . . ?
C113 C11 C112 106.9(3) . . ?
C113 C11 C111 107.8(2) . . ?
C112 C11 C111 107.3(2) . . ?
C113 C11 Si1 110.9(2) . . ?
C112 C11 Si1 110.3(2) . . ?
C111 C11 Si1 113.4(2) . . ?
C11 C111 H11A 109.5 . . ?
C11 C111 H11B 109.5 . . ?
H11A C111 H11B 109.5 . . ?
C11 C111 H11C 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
C11 C112 H11D 109.5 . . ?
C11 C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
C11 C112 H11F 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C11 C113 H11G 109.5 . . ?
C11 C113 H11H 109.5 . . ?
H11G C113 H11H 109.5 . . ?
C11 C113 H11I 109.5 . . ?
H11G C113 H11I 109.5 . . ?
H11H C113 H11I 109.5 . . ?
C121 C12 C123 106.0(3) . . ?
C121 C12 C122 107.8(2) . . ?
C123 C12 C122 106.2(2) . . ?
C121 C12 Si1 110.69(19) . . ?
C123 C12 Si1 111.39(19) . . ?
C122 C12 Si1 114.3(2) . . ?
C12 C121 H12A 109.5 . . ?
C12 C121 H12B 109.5 . . ?
H12A C121 H12B 109.5 . . ?
C12 C121 H12C 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
C12 C122 H12D 109.5 . . ?
C12 C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
C12 C122 H12F 109.5 . . ?
H12D C122 H12F 109.5 . . ?
H12E C122 H12F 109.5 . . ?
C12 C123 H12G 109.5 . . ?
C12 C123 H12H 109.5 . . ?
H12G C123 H12H 109.5 . . ?
C12 C123 H12I 109.5 . . ?
H12G C123 H12I 109.5 . . ?
H12H C123 H12I 109.5 . . ?
C133 C13 C131 106.6(2) . . ?
C133 C13 C132 107.3(2) . . ?
C131 C13 C132 106.5(2) . . ?
C133 C13 Si1 110.91(17) . . ?
C131 C13 Si1 112.19(19) . . ?
C132 C13 Si1 112.93(19) . . ?
C13 C131 H13A 109.5 . . ?
C13 C131 H13B 109.5 . . ?
H13A C131 H13B 109.5 . . ?
C13 C131 H13C 109.5 . . ?
H13A C131 H13C 109.5 . . ?
H13B C131 H13C 109.5 . . ?
C13 C132 H13D 109.5 . . ?
C13 C132 H13E 109.5 . . ?
H13D C132 H13E 109.5 . . ?
C13 C132 H13F 109.5 . . ?
H13D C132 H13F 109.5 . . ?
H13E C132 H13F 109.5 . . ?
C13 C133 H13G 109.5 . . ?
C13 C133 H13H 109.5 . . ?
H13G C133 H13H 109.5 . . ?
C13 C133 H13I 109.5 . . ?
H13G C133 H13I 109.5 . . ?
H13H C133 H13I 109.5 . . ?
C212 C21 C211 106.1(3) . . ?
C212 C21 C213 107.7(3) . . ?
C211 C21 C213 107.6(3) . . ?
C212 C21 Si2 113.08(19) . . ?
C211 C21 Si2 110.8(2) . . ?
C213 C21 Si2 111.4(2) . . ?
C21 C211 H21A 109.5 . . ?
C21 C211 H21B 109.5 . . ?
H21A C211 H21B 109.5 . . ?
C21 C211 H21C 109.5 . . ?
H21A C211 H21C 109.5 . . ?
H21B C211 H21C 109.5 . . ?
C21 C212 H21D 109.5 . . ?
C21 C212 H21E 109.5 . . ?
H21D C212 H21E 109.5 . . ?
C21 C212 H21F 109.5 . . ?
H21D C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
C21 C213 H21G 109.5 . . ?
C21 C213 H21H 109.5 . . ?
H21G C213 H21H 109.5 . . ?
C21 C213 H21I 109.5 . . ?
H21G C213 H21I 109.5 . . ?
H21H C213 H21I 109.5 . . ?
C223 C22 C221 106.2(2) . . ?
C223 C22 C222 108.0(3) . . ?
C221 C22 C222 108.2(2) . . ?
C223 C22 Si2 111.4(2) . . ?
C221 C22 Si2 110.4(2) . . ?
C222 C22 Si2 112.5(2) . . ?
C22 C221 H22A 109.5 . . ?
C22 C221 H22B 109.5 . . ?
H22A C221 H22B 109.5 . . ?
C22 C221 H22C 109.5 . . ?
H22A C221 H22C 109.5 . . ?
H22B C221 H22C 109.5 . . ?
C22 C222 H22D 109.5 . . ?
C22 C222 H22E 109.5 . . ?
H22D C222 H22E 109.5 . . ?
C22 C222 H22F 109.5 . . ?
H22D C222 H22F 109.5 . . ?
H22E C222 H22F 109.5 . . ?
C22 C223 H22G 109.5 . . ?
C22 C223 H22H 109.5 . . ?
H22G C223 H22H 109.5 . . ?
C22 C223 H22I 109.5 . . ?
H22G C223 H22I 109.5 . . ?
H22H C223 H22I 109.5 . . ?
C232 C23 C231 106.3(3) . . ?
C232 C23 C233 108.0(3) . . ?
C231 C23 C233 107.1(3) . . ?
C232 C23 Si2 111.6(2) . . ?
C231 C23 Si2 110.6(2) . . ?
C233 C23 Si2 112.9(2) . . ?
C23 C231 H23A 109.5 . . ?
C23 C231 H23B 109.5 . . ?
H23A C231 H23B 109.5 . . ?
C23 C231 H23C 109.5 . . ?
H23A C231 H23C 109.5 . . ?
H23B C231 H23C 109.5 . . ?
C23 C232 H23D 109.5 . . ?
C23 C232 H23E 109.5 . . ?
H23D C232 H23E 109.5 . . ?
C23 C232 H23F 109.5 . . ?
H23D C232 H23F 109.5 . . ?
H23E C232 H23F 109.5 . . ?
C23 C233 H23G 109.5 . . ?
C23 C233 H23H 109.5 . . ?
H23G C233 H23H 109.5 . . ?
C23 C233 H23I 109.5 . . ?
H23G C233 H23I 109.5 . . ?
H23H C233 H23I 109.5 . . ?
C312 C31 C311 107.9(4) . . ?
C312 C31 C313 108.4(4) . . ?
C311 C31 C313 106.8(3) . . ?
C312 C31 Si3 110.7(3) . . ?
C311 C31 Si3 111.3(2) . . ?
C313 C31 Si3 111.6(4) . . ?
C31 C311 H31A 109.5 . . ?
C31 C311 H31B 109.5 . . ?
H31A C311 H31B 109.5 . . ?
C31 C311 H31C 109.5 . . ?
H31A C311 H31C 109.5 . . ?
H31B C311 H31C 109.5 . . ?
C31 C312 H31D 109.5 . . ?
C31 C312 H31E 109.5 . . ?
H31D C312 H31E 109.5 . . ?
C31 C312 H31F 109.5 . . ?
H31D C312 H31F 109.5 . . ?
H31E C312 H31F 109.5 . . ?
C31 C313 H31G 109.5 . . ?
C31 C313 H31H 109.5 . . ?
H31G C313 H31H 109.5 . . ?
C31 C313 H31I 109.5 . . ?
H31G C313 H31I 109.5 . . ?
H31H C313 H31I 109.5 . . ?
C321 C32 C322 106.7(4) . . ?
C321 C32 C323 109.4(4) . . ?
C322 C32 C323 105.5(5) . . ?
C321 C32 Si3 112.8(3) . . ?
C322 C32 Si3 111.3(3) . . ?
C323 C32 Si3 110.8(3) . . ?
C32 C321 H32A 109.5 . . ?
C32 C321 H32B 109.5 . . ?
H32A C321 H32B 109.5 . . ?
C32 C321 H32C 109.5 . . ?
H32A C321 H32C 109.5 . . ?
H32B C321 H32C 109.5 . . ?
C32 C322 H32D 109.5 . . ?
C32 C322 H32E 109.5 . . ?
H32D C322 H32E 109.5 . . ?
C32 C322 H32F 109.5 . . ?
H32D C322 H32F 109.5 . . ?
H32E C322 H32F 109.5 . . ?
C32 C323 H32G 109.5 . . ?
C32 C323 H32H 109.5 . . ?
H32G C323 H32H 109.5 . . ?
C32 C323 H32I 109.5 . . ?
H32G C323 H32I 109.5 . . ?
H32H C323 H32I 109.5 . . ?
C332 C33 C333 108.4(4) . . ?
C332 C33 C331 110.0(4) . . ?
C333 C33 C331 102.6(4) . . ?
C332 C33 Si3 113.8(3) . . ?
C333 C33 Si3 112.2(3) . . ?
C331 C33 Si3 109.2(3) . . ?
C33 C331 H33A 109.5 . . ?
C33 C331 H33B 109.5 . . ?
H33A C331 H33B 109.5 . . ?
C33 C331 H33C 109.5 . . ?
H33A C331 H33C 109.5 . . ?
H33B C331 H33C 109.5 . . ?
C33 C332 H33D 109.5 . . ?
C33 C332 H33E 109.5 . . ?
H33D C332 H33E 109.5 . . ?
C33 C332 H33F 109.5 . . ?
H33D C332 H33F 109.5 . . ?
H33E C332 H33F 109.5 . . ?
C33 C333 H33G 109.5 . . ?
C33 C333 H33H 109.5 . . ?
H33G C333 H33H 109.5 . . ?
C33 C333 H33I 109.5 . . ?
H33G C333 H33I 109.5 . . ?
H33H C333 H33I 109.5 . . ?
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
Mg1 P3 2.5725(12) . ?
Mg1 P2 2.6119(11) . ?
Mg1 P1 2.6374(11) . ?
Mg1 P1 2.6415(10) 3_565 ?
Mg1 Mg2 2.9224(13) 3_565 ?
Mg1 Mg2 2.9595(12) . ?
Mg2 P3 2.5295(11) . ?
Mg2 P2 2.5564(11) 3_565 ?
Mg2 P1 2.6521(12) . ?
Mg2 P1 2.6632(11) 3_565 ?
Mg2 Mg1 2.9224(13) 3_565 ?
P1 Si1 2.2777(9) . ?
P1 Mg1 2.6415(10) 3_565 ?
P1 Mg2 2.6632(11) 3_565 ?
Si1 C11 1.958(3) . ?
Si1 C12 1.958(3) . ?
Si1 C13 1.961(3) . ?
P2 Si2 2.2836(10) . ?
P2 Mg2 2.5564(11) 3_565 ?
P2 H2 1.30(3) . ?
Si2 C23 1.946(3) . ?
Si2 C21 1.951(3) . ?
Si2 C22 1.953(3) . ?
P3 Si3 2.2608(11) . ?
P3 H3 1.61(6) . ?
Si3 C32 1.934(3) . ?
Si3 C31 1.934(3) . ?
Si3 C33 1.938(4) . ?
C11 C113 1.535(4) . ?
C11 C112 1.543(4) . ?
C11 C111 1.547(4) . ?
C111 H11A 0.9600 . ?
C111 H11B 0.9600 . ?
C111 H11C 0.9600 . ?
C112 H11D 0.9600 . ?
C112 H11E 0.9600 . ?
C112 H11F 0.9600 . ?
C113 H11G 0.9600 . ?
C113 H11H 0.9600 . ?
C113 H11I 0.9600 . ?
C12 C121 1.535(5) . ?
C12 C123 1.538(4) . ?
C12 C122 1.543(4) . ?
C121 H12A 0.9600 . ?
C121 H12B 0.9600 . ?
C121 H12C 0.9600 . ?
C122 H12D 0.9600 . ?
C122 H12E 0.9600 . ?
C122 H12F 0.9600 . ?
C123 H12G 0.9600 . ?
C123 H12H 0.9600 . ?
C123 H12I 0.9600 . ?
C13 C133 1.533(4) . ?
C13 C131 1.539(4) . ?
C13 C132 1.547(3) . ?
C131 H13A 0.9600 . ?
C131 H13B 0.9600 . ?
C131 H13C 0.9600 . ?
C132 H13D 0.9600 . ?
C132 H13E 0.9600 . ?
C132 H13F 0.9600 . ?
C133 H13G 0.9600 . ?
C133 H13H 0.9600 . ?
C133 H13I 0.9600 . ?
C21 C212 1.534(4) . ?
C21 C211 1.542(4) . ?
C21 C213 1.549(4) . ?
C211 H21A 0.9600 . ?
C211 H21B 0.9600 . ?
C211 H21C 0.9600 . ?
C212 H21D 0.9600 . ?
C212 H21E 0.9600 . ?
C212 H21F 0.9600 . ?
C213 H21G 0.9600 . ?
C213 H21H 0.9600 . ?
C213 H21I 0.9600 . ?
C22 C223 1.539(4) . ?
C22 C221 1.540(4) . ?
C22 C222 1.541(4) . ?
C221 H22A 0.9600 . ?
C221 H22B 0.9600 . ?
C221 H22C 0.9600 . ?
C222 H22D 0.9600 . ?
C222 H22E 0.9600 . ?
C222 H22F 0.9600 . ?
C223 H22G 0.9600 . ?
C223 H22H 0.9600 . ?
C223 H22I 0.9600 . ?
C23 C232 1.541(5) . ?
C23 C231 1.543(4) . ?
C23 C233 1.543(4) . ?
C231 H23A 0.9600 . ?
C231 H23B 0.9600 . ?
C231 H23C 0.9600 . ?
C232 H23D 0.9600 . ?
C232 H23E 0.9600 . ?
C232 H23F 0.9600 . ?
C233 H23G 0.9600 . ?
C233 H23H 0.9600 . ?
C233 H23I 0.9600 . ?
C31 C312 1.522(7) . ?
C31 C311 1.541(6) . ?
C31 C313 1.544(6) . ?
C311 H31A 0.9600 . ?
C311 H31B 0.9600 . ?
C311 H31C 0.9600 . ?
C312 H31D 0.9600 . ?
C312 H31E 0.9600 . ?
C312 H31F 0.9600 . ?
C313 H31G 0.9600 . ?
C313 H31H 0.9600 . ?
C313 H31I 0.9600 . ?
C32 C321 1.506(7) . ?
C32 C322 1.540(7) . ?
C32 C323 1.577(6) . ?
C321 H32A 0.9600 . ?
C321 H32B 0.9600 . ?
C321 H32C 0.9600 . ?
C322 H32D 0.9600 . ?
C322 H32E 0.9600 . ?
C322 H32F 0.9600 . ?
C323 H32G 0.9600 . ?
C323 H32H 0.9600 . ?
C323 H32I 0.9600 . ?
C33 C332 1.511(6) . ?
C33 C333 1.529(5) . ?
C33 C331 1.543(6) . ?
C331 H33A 0.9600 . ?
C331 H33B 0.9600 . ?
C331 H33C 0.9600 . ?
C332 H33D 0.9600 . ?
C332 H33E 0.9600 . ?
C332 H33F 0.9600 . ?
C333 H33G 0.9600 . ?
C333 H33H 0.9600 . ?
C333 H33I 0.9600 . ?
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
P2 Mg1 Mg2 P3 -172.20(8) . . . . ?
P1 Mg1 Mg2 P3 129.41(4) . . . . ?
P1 Mg1 Mg2 P3 -133.98(5) 3_565 . . . ?
Mg2 Mg1 Mg2 P3 177.85(5) 3_565 . . . ?
P3 Mg1 Mg2 P2 -167.55(8) . . . 3_565 ?
P2 Mg1 Mg2 P2 20.25(13) . . . 3_565 ?
P1 Mg1 Mg2 P2 -38.14(7) . . . 3_565 ?
P1 Mg1 Mg2 P2 58.47(7) 3_565 . . 3_565 ?
Mg2 Mg1 Mg2 P2 10.30(6) 3_565 . . 3_565 ?
P3 Mg1 Mg2 P1 -129.41(4) . . . . ?
P2 Mg1 Mg2 P1 58.39(7) . . . . ?
P1 Mg1 Mg2 P1 96.61(3) 3_565 . . . ?
Mg2 Mg1 Mg2 P1 48.44(2) 3_565 . . . ?
P3 Mg1 Mg2 P1 133.98(5) . . . 3_565 ?
P2 Mg1 Mg2 P1 -38.22(7) . . . 3_565 ?
P1 Mg1 Mg2 P1 -96.61(3) . . . 3_565 ?
Mg2 Mg1 Mg2 P1 -48.17(3) 3_565 . . 3_565 ?
P3 Mg1 Mg2 Mg1 -177.85(5) . . . 3_565 ?
P2 Mg1 Mg2 Mg1 9.95(6) . . . 3_565 ?
P1 Mg1 Mg2 Mg1 -48.44(2) . . . 3_565 ?
P1 Mg1 Mg2 Mg1 48.17(3) 3_565 . . 3_565 ?
Mg2 Mg1 Mg2 Mg1 0.0 3_565 . . 3_565 ?
P3 Mg1 P1 Si1 -79.53(5) . . . . ?
P2 Mg1 P1 Si1 91.80(5) . . . . ?
P1 Mg1 P1 Si1 -176.59(6) 3_565 . . . ?
Mg2 Mg1 P1 Si1 124.82(5) 3_565 . . . ?
Mg2 Mg1 P1 Si1 -118.36(5) . . . . ?
P3 Mg1 P1 Mg1 97.05(4) . . . 3_565 ?
P2 Mg1 P1 Mg1 -91.61(4) . . . 3_565 ?
P1 Mg1 P1 Mg1 0.0 3_565 . . 3_565 ?
Mg2 Mg1 P1 Mg1 -58.59(3) 3_565 . . 3_565 ?
Mg2 Mg1 P1 Mg1 58.22(3) . . . 3_565 ?
P3 Mg1 P1 Mg2 38.83(3) . . . . ?
P2 Mg1 P1 Mg2 -149.83(4) . . . . ?
P1 Mg1 P1 Mg2 -58.22(3) 3_565 . . . ?
Mg2 Mg1 P1 Mg2 -116.81(3) 3_565 . . . ?
P3 Mg1 P1 Mg2 155.65(4) . . . 3_565 ?
P2 Mg1 P1 Mg2 -33.02(3) . . . 3_565 ?
P1 Mg1 P1 Mg2 58.59(3) 3_565 . . 3_565 ?
Mg2 Mg1 P1 Mg2 116.81(3) . . . 3_565 ?
P3 Mg2 P1 Si1 80.93(5) . . . . ?
P2 Mg2 P1 Si1 -80.12(5) 3_565 . . . ?
P1 Mg2 P1 Si1 178.32(5) 3_565 . . . ?
Mg1 Mg2 P1 Si1 -123.43(5) 3_565 . . . ?
Mg1 Mg2 P1 Si1 120.61(5) . . . . ?
P3 Mg2 P1 Mg1 -39.68(3) . . . . ?
P2 Mg2 P1 Mg1 159.27(4) 3_565 . . . ?
P1 Mg2 P1 Mg1 57.71(3) 3_565 . . . ?
Mg1 Mg2 P1 Mg1 115.96(3) 3_565 . . . ?
P3 Mg2 P1 Mg1 -155.64(4) . . . 3_565 ?
P2 Mg2 P1 Mg1 43.31(3) 3_565 . . 3_565 ?
P1 Mg2 P1 Mg1 -58.25(3) 3_565 . . 3_565 ?
Mg1 Mg2 P1 Mg1 -115.96(3) . . . 3_565 ?
P3 Mg2 P1 Mg2 -97.39(4) . . . 3_565 ?
P2 Mg2 P1 Mg2 101.56(4) 3_565 . . 3_565 ?
P1 Mg2 P1 Mg2 0.0 3_565 . . 3_565 ?
Mg1 Mg2 P1 Mg2 58.25(3) 3_565 . . 3_565 ?
Mg1 Mg2 P1 Mg2 -57.71(3) . . . 3_565 ?
Mg1 P1 Si1 C11 -135.61(10) . . . . ?
Mg1 P1 Si1 C11 48.72(11) 3_565 . . . ?
Mg2 P1 Si1 C11 136.76(10) . . . . ?
Mg2 P1 Si1 C11 -45.40(11) 3_565 . . . ?
Mg1 P1 Si1 C12 -15.53(12) . . . . ?
Mg1 P1 Si1 C12 168.80(11) 3_565 . . . ?
Mg2 P1 Si1 C12 -103.17(11) . . . . ?
Mg2 P1 Si1 C12 74.68(11) 3_565 . . . ?
Mg1 P1 Si1 C13 104.42(9) . . . . ?
Mg1 P1 Si1 C13 -71.25(10) 3_565 . . . ?
Mg2 P1 Si1 C13 16.79(10) . . . . ?
Mg2 P1 Si1 C13 -165.37(9) 3_565 . . . ?
P3 Mg1 P2 Si2 39.97(19) . . . . ?
P1 Mg1 P2 Si2 -113.10(8) . . . . ?
P1 Mg1 P2 Si2 169.50(7) 3_565 . . . ?
Mg2 Mg1 P2 Si2 -147.15(9) 3_565 . . . ?
Mg2 Mg1 P2 Si2 -159.37(7) . . . . ?
P3 Mg1 P2 Mg2 -172.89(14) . . . 3_565 ?
P1 Mg1 P2 Mg2 34.05(3) . . . 3_565 ?
P1 Mg1 P2 Mg2 -43.35(3) 3_565 . . 3_565 ?
Mg2 Mg1 P2 Mg2 -12.23(8) . . . 3_565 ?
Mg2 P2 Si2 C23 -142.45(10) 3_565 . . . ?
Mg1 P2 Si2 C23 -7.20(13) . . . . ?
Mg2 P2 Si2 C21 97.52(11) 3_565 . . . ?
Mg1 P2 Si2 C21 -127.22(12) . . . . ?
Mg2 P2 Si2 C22 -21.29(11) 3_565 . . . ?
Mg1 P2 Si2 C22 113.96(12) . . . . ?
P2 Mg2 P3 Si3 -19.7(2) 3_565 . . . ?
P1 Mg2 P3 Si3 -140.71(9) . . . . ?
P1 Mg2 P3 Si3 142.33(9) 3_565 . . . ?
Mg1 Mg2 P3 Si3 -176.98(7) 3_565 . . . ?
Mg1 Mg2 P3 Si3 179.31(11) . . . . ?
P2 Mg2 P3 Mg1 160.96(13) 3_565 . . . ?
P1 Mg2 P3 Mg1 39.98(3) . . . . ?
P1 Mg2 P3 Mg1 -36.98(4) 3_565 . . . ?
Mg1 Mg2 P3 Mg1 3.71(9) 3_565 . . . ?
P2 Mg1 P3 Si3 -13.1(2) . . . . ?
P1 Mg1 P3 Si3 140.44(8) . . . . ?
P1 Mg1 P3 Si3 -142.10(8) 3_565 . . . ?
Mg2 Mg1 P3 Si3 176.92(7) 3_565 . . . ?
Mg2 Mg1 P3 Si3 -179.38(10) . . . . ?
P2 Mg1 P3 Mg2 166.29(14) . . . . ?
P1 Mg1 P3 Mg2 -40.18(4) . . . . ?
P1 Mg1 P3 Mg2 37.28(4) 3_565 . . . ?
Mg2 Mg1 P3 Mg2 -3.70(9) 3_565 . . . ?
Mg2 P3 Si3 C32 61.70(18) . . . . ?
Mg1 P3 Si3 C32 -119.37(17) . . . . ?
Mg2 P3 Si3 C31 -178.92(14) . . . . ?
Mg1 P3 Si3 C31 0.02(15) . . . . ?
Mg2 P3 Si3 C33 -58.32(15) . . . . ?
Mg1 P3 Si3 C33 120.61(14) . . . . ?
C12 Si1 C11 C113 -166.11(19) . . . . ?
C13 Si1 C11 C113 72.6(2) . . . . ?
P1 Si1 C11 C113 -48.3(2) . . . . ?
C12 Si1 C11 C112 -47.9(2) . . . . ?
C13 Si1 C11 C112 -169.18(19) . . . . ?
P1 Si1 C11 C112 69.9(2) . . . . ?
C12 Si1 C11 C111 72.4(2) . . . . ?
C13 Si1 C11 C111 -48.8(2) . . . . ?
P1 Si1 C11 C111 -169.74(19) . . . . ?
C11 Si1 C12 C121 -168.88(18) . . . . ?
C13 Si1 C12 C121 -47.7(2) . . . . ?
P1 Si1 C12 C121 73.01(19) . . . . ?
C11 Si1 C12 C123 73.4(2) . . . . ?
C13 Si1 C12 C123 -165.4(2) . . . . ?
P1 Si1 C12 C123 -44.7(2) . . . . ?
C11 Si1 C12 C122 -47.0(3) . . . . ?
C13 Si1 C12 C122 74.2(3) . . . . ?
P1 Si1 C12 C122 -165.1(2) . . . . ?
C11 Si1 C13 C133 -159.28(18) . . . . ?
C12 Si1 C13 C133 78.6(2) . . . . ?
P1 Si1 C13 C133 -40.1(2) . . . . ?
C11 Si1 C13 C131 -40.2(2) . . . . ?
C12 Si1 C13 C131 -162.37(19) . . . . ?
P1 Si1 C13 C131 78.94(19) . . . . ?
C11 Si1 C13 C132 80.2(2) . . . . ?
C12 Si1 C13 C132 -42.0(2) . . . . ?
P1 Si1 C13 C132 -160.66(18) . . . . ?
C23 Si2 C21 C212 -163.1(2) . . . . ?
C22 Si2 C21 C212 69.9(3) . . . . ?
P2 Si2 C21 C212 -45.8(2) . . . . ?
C23 Si2 C21 C211 -44.2(3) . . . . ?
C22 Si2 C21 C211 -171.2(2) . . . . ?
P2 Si2 C21 C211 73.1(2) . . . . ?
C23 Si2 C21 C213 75.5(3) . . . . ?
C22 Si2 C21 C213 -51.5(3) . . . . ?
P2 Si2 C21 C213 -167.2(2) . . . . ?
C23 Si2 C22 C223 -168.2(2) . . . . ?
C21 Si2 C22 C223 -41.9(2) . . . . ?
P2 Si2 C22 C223 74.3(2) . . . . ?
C23 Si2 C22 C221 74.1(2) . . . . ?
C21 Si2 C22 C221 -159.6(2) . . . . ?
P2 Si2 C22 C221 -43.3(2) . . . . ?
C23 Si2 C22 C222 -46.8(2) . . . . ?
C21 Si2 C22 C222 79.5(2) . . . . ?
P2 Si2 C22 C222 -164.25(19) . . . . ?
C21 Si2 C23 C232 74.5(2) . . . . ?
C22 Si2 C23 C232 -159.5(2) . . . . ?
P2 Si2 C23 C232 -42.7(2) . . . . ?
C21 Si2 C23 C231 -167.4(2) . . . . ?
C22 Si2 C23 C231 -41.4(3) . . . . ?
P2 Si2 C23 C231 75.4(2) . . . . ?
C21 Si2 C23 C233 -47.4(3) . . . . ?
C22 Si2 C23 C233 78.6(2) . . . . ?
P2 Si2 C23 C233 -164.6(2) . . . . ?
C32 Si3 C31 C312 -172.3(4) . . . . ?
C33 Si3 C31 C312 -44.5(4) . . . . ?
P3 Si3 C31 C312 72.5(4) . . . . ?
C32 Si3 C31 C311 67.7(4) . . . . ?
C33 Si3 C31 C311 -164.5(3) . . . . ?
P3 Si3 C31 C311 -47.5(3) . . . . ?
C32 Si3 C31 C313 -51.5(4) . . . . ?
C33 Si3 C31 C313 76.2(3) . . . . ?
P3 Si3 C31 C313 -166.7(3) . . . . ?
C31 Si3 C32 C321 -41.4(4) . . . . ?
C33 Si3 C32 C321 -169.7(4) . . . . ?
P3 Si3 C32 C321 73.0(4) . . . . ?
C31 Si3 C32 C322 -161.3(3) . . . . ?
C33 Si3 C32 C322 70.4(3) . . . . ?
P3 Si3 C32 C322 -46.9(3) . . . . ?
C31 Si3 C32 C323 81.7(5) . . . . ?
C33 Si3 C32 C323 -46.6(5) . . . . ?
P3 Si3 C32 C323 -163.9(4) . . . . ?
C32 Si3 C33 C332 76.8(4) . . . . ?
C31 Si3 C33 C332 -51.2(4) . . . . ?
P3 Si3 C33 C332 -166.7(3) . . . . ?
C32 Si3 C33 C333 -46.8(4) . . . . ?
C31 Si3 C33 C333 -174.8(3) . . . . ?
P3 Si3 C33 C333 69.7(3) . . . . ?
C32 Si3 C33 C331 -159.8(4) . . . . ?
C31 Si3 C33 C331 72.1(4) . . . . ?
P3 Si3 C33 C331 -43.3(4) . . . . ?
