#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:34:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179117 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/79/4307975.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_4307975
loop_
_publ_author_name
'Keith Izod'
'Corinne Wills'
'William Clegg'
'Ross W. Harrington'
_publ_section_title
;
Alkaline Earth Metal Complexes of a Phosphine-Borane-Stabilized
Carbanion: Synthesis, Structures, and Stabilities
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4320
_journal_page_last               4325
_journal_paper_doi               10.1021/ic062459l
_journal_volume                  46
_journal_year                    2007
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C18 H54 B2 Mg P2 Si4'
_chemical_formula_sum            'C18 H54 B2 Mg P2 Si4'
_chemical_formula_weight         490.84
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.972(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.800(2)
_cell_length_b                   8.9292(13)
_cell_length_c                   44.332(7)
_cell_measurement_reflns_used    9207
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.6
_cell_volume                     6208.2(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       'thin-slice ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_sigmaI/netI    0.0553
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            22041
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.93
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.319
_exptl_absorpt_correction_T_max  0.954
_exptl_absorpt_correction_T_min  0.878
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.050
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.554
_refine_diff_density_rms         0.084
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.204
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     567
_refine_ls_number_reflns         10685
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.204
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.106
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0228P)²+21.1477P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1198
_refine_ls_wR_factor_ref         0.1209
_reflns_number_gt                10211
_reflns_number_total             10685
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic062459l-file002_1.cif
_cod_data_source_block           ki256_compound_3
_cod_original_cell_volume        6208.3(16)
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4307975
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
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 0.88006(9) 0.54661(17) 0.12790(3) 0.0185(3) Uani 1 1 d . . .
P1 P 0.81777(8) 0.75508(13) 0.07971(3) 0.0195(3) Uani 1 1 d . . .
P2 P 0.96395(8) 0.36751(14) 0.17793(3) 0.0216(3) Uani 1 1 d . . .
Si1 Si 0.90648(8) 0.47798(15) 0.05704(3) 0.0184(3) Uani 1 1 d . . .
Si2 Si 0.71355(8) 0.46917(15) 0.06438(3) 0.0206(3) Uani 1 1 d . . .
Si3 Si 0.77147(9) 0.30884(15) 0.17604(3) 0.0229(3) Uani 1 1 d . . .
Si4 Si 0.84977(8) 0.61553(14) 0.19850(3) 0.0187(3) Uani 1 1 d . . .
B1 B 0.8970(4) 0.8177(7) 0.11339(13) 0.0246(12) Uani 1 1 d . . .
H1C H 0.903(3) 0.938(5) 0.1160(11) 0.020(12) Uiso 1 1 d . . .
H1B H 0.955(3) 0.756(5) 0.1131(10) 0.018(12) Uiso 1 1 d . . .
H1A H 0.863(3) 0.759(5) 0.1332(10) 0.019(12) Uiso 1 1 d . . .
B2 B 1.0296(4) 0.4654(8) 0.14989(14) 0.0299(13) Uani 1 1 d . . .
H2F H 1.021(3) 0.591(6) 0.1534(11) 0.026(13) Uiso 1 1 d . . .
H2E H 0.992(3) 0.446(6) 0.1294(13) 0.038(15) Uiso 1 1 d . . .
H2D H 1.092(4) 0.431(7) 0.1512(14) 0.06(2) Uiso 1 1 d . . .
C1 C 0.8200(3) 0.5557(5) 0.07874(10) 0.0198(10) Uani 1 1 d . . .
C2 C 0.8323(4) 0.8470(5) 0.04463(12) 0.0302(12) Uani 1 1 d . . .
H2A H 0.8289 0.9557 0.0473 0.045 Uiso 1 1 calc R . .
H2B H 0.7877 0.8146 0.0287 0.045 Uiso 1 1 calc R . .
H2C H 0.8884 0.8208 0.0388 0.045 Uiso 1 1 calc R . .
C3 C 0.7158(3) 0.8302(6) 0.08738(13) 0.0343(13) Uani 1 1 d . . .
H3A H 0.7205 0.9389 0.0902 0.051 Uiso 1 1 calc R . .
H3B H 0.6993 0.7841 0.1059 0.051 Uiso 1 1 calc R . .
H3C H 0.6724 0.8083 0.0702 0.051 Uiso 1 1 calc R . .
C4 C 0.9345(3) 0.2801(5) 0.06794(12) 0.0286(11) Uani 1 1 d . . .
H4A H 0.8844 0.2160 0.0628 0.043 Uiso 1 1 calc R . .
H4B H 0.9527 0.2748 0.0898 0.043 Uiso 1 1 calc R . .
H4C H 0.9809 0.2458 0.0569 0.043 Uiso 1 1 calc R . .
C5 C 0.8773(3) 0.4772(7) 0.01432(11) 0.0323(12) Uani 1 1 d . . .
H5A H 0.8249 0.4192 0.0091 0.048 Uiso 1 1 calc R . .
H5B H 0.9236 0.4317 0.0047 0.048 Uiso 1 1 calc R . .
H5C H 0.8682 0.5803 0.0071 0.048 Uiso 1 1 calc R . .
C6 C 1.0108(3) 0.5825(6) 0.06313(11) 0.0286(12) Uani 1 1 d . . .
H6A H 1.0477 0.5487 0.0482 0.043 Uiso 1 1 calc R . .
H6B H 1.0388 0.5629 0.0837 0.043 Uiso 1 1 calc R . .
H6C H 1.0001 0.6901 0.0606 0.043 Uiso 1 1 calc R . .
C7 C 0.7224(3) 0.2669(6) 0.05430(12) 0.0330(13) Uani 1 1 d . . .
H7A H 0.7476 0.2110 0.0722 0.049 Uiso 1 1 calc R . .
H7B H 0.7588 0.2568 0.0380 0.049 Uiso 1 1 calc R . .
H7C H 0.6656 0.2270 0.0474 0.049 Uiso 1 1 calc R . .
C8 C 0.6357(3) 0.4789(6) 0.09295(13) 0.0337(12) Uani 1 1 d . . .
H8A H 0.6513 0.4053 0.1091 0.051 Uiso 1 1 calc R . .
H8B H 0.5782 0.4569 0.0830 0.051 Uiso 1 1 calc R . .
H8C H 0.6366 0.5796 0.1018 0.051 Uiso 1 1 calc R . .
C9 C 0.6590(3) 0.5593(7) 0.02855(12) 0.0375(13) Uani 1 1 d . . .
H9A H 0.6103 0.4978 0.0203 0.056 Uiso 1 1 calc R . .
H9B H 0.6995 0.5674 0.0135 0.056 Uiso 1 1 calc R . .
H9C H 0.6390 0.6595 0.0333 0.056 Uiso 1 1 calc R . .
C10 C 0.8594(3) 0.4483(5) 0.17346(10) 0.0179(9) Uani 1 1 d . . .
C11 C 1.0164(4) 0.3652(7) 0.21662(12) 0.0398(14) Uani 1 1 d . . .
H11A H 1.0731 0.3203 0.2170 0.060 Uiso 1 1 calc R . .
H11B H 0.9825 0.3061 0.2294 0.060 Uiso 1 1 calc R . .
H11C H 1.0220 0.4679 0.2244 0.060 Uiso 1 1 calc R . .
C12 C 0.9659(4) 0.1728(6) 0.16767(15) 0.0443(15) Uani 1 1 d . . .
H12A H 1.0247 0.1360 0.1708 0.067 Uiso 1 1 calc R . .
H12B H 0.9431 0.1611 0.1462 0.067 Uiso 1 1 calc R . .
H12C H 0.9309 0.1153 0.1804 0.067 Uiso 1 1 calc R . .
C13 C 0.7867(4) 0.1867(6) 0.21088(14) 0.0475(16) Uani 1 1 d . . .
H13A H 0.8401 0.1306 0.2112 0.071 Uiso 1 1 calc R . .
H13B H 0.7389 0.1164 0.2104 0.071 Uiso 1 1 calc R . .
H13C H 0.7889 0.2494 0.2291 0.071 Uiso 1 1 calc R . .
C14 C 0.6650(3) 0.4006(6) 0.17794(14) 0.0374(14) Uani 1 1 d . . .
H14A H 0.6545 0.4748 0.1616 0.056 Uiso 1 1 calc R . .
H14B H 0.6650 0.4503 0.1977 0.056 Uiso 1 1 calc R . .
H14C H 0.6200 0.3244 0.1755 0.056 Uiso 1 1 calc R . .
C15 C 0.7572(3) 0.1801(6) 0.14231(12) 0.0315(12) Uani 1 1 d . . .
H15A H 0.8028 0.1050 0.1442 0.047 Uiso 1 1 calc R . .
H15B H 0.7595 0.2382 0.1237 0.047 Uiso 1 1 calc R . .
H15C H 0.7018 0.1297 0.1414 0.047 Uiso 1 1 calc R . .
C16 C 0.9443(3) 0.7464(6) 0.20190(11) 0.0274(11) Uani 1 1 d . . .
H16A H 0.9955 0.6922 0.2106 0.041 Uiso 1 1 calc R . .
H16B H 0.9339 0.8305 0.2152 0.041 Uiso 1 1 calc R . .
H16C H 0.9526 0.7844 0.1817 0.041 Uiso 1 1 calc R . .
C17 C 0.8325(3) 0.5646(6) 0.23869(11) 0.0287(11) Uani 1 1 d . . .
H17A H 0.8786 0.4987 0.2475 0.043 Uiso 1 1 calc R . .
H17B H 0.7777 0.5127 0.2385 0.043 Uiso 1 1 calc R . .
H17C H 0.8321 0.6559 0.2509 0.043 Uiso 1 1 calc R . .
C18 C 0.7552(3) 0.7385(6) 0.18414(12) 0.0356(13) Uani 1 1 d . . .
H18A H 0.7424 0.7271 0.1621 0.053 Uiso 1 1 calc R . .
H18B H 0.7690 0.8434 0.1890 0.053 Uiso 1 1 calc R . .
H18C H 0.7055 0.7085 0.1939 0.053 Uiso 1 1 calc R . .
Mg2 Mg 0.63368(9) 0.39770(16) 0.37586(3) 0.0165(3) Uani 1 1 d . . .
P3 P 0.74536(7) 0.54120(14) 0.42486(3) 0.0184(2) Uani 1 1 d . . .
P4 P 0.54565(8) 0.21909(13) 0.32687(3) 0.0188(3) Uani 1 1 d . . .
Si5 Si 0.56353(8) 0.64156(14) 0.43355(3) 0.0197(3) Uani 1 1 d . . .
Si6 Si 0.62221(8) 0.31222(14) 0.44727(3) 0.0175(3) Uani 1 1 d . . .
Si7 Si 0.64003(8) 0.48990(15) 0.30460(3) 0.0206(3) Uani 1 1 d . . .
Si8 Si 0.45574(7) 0.52458(14) 0.32189(3) 0.0194(3) Uani 1 1 d . . .
B3 B 0.7917(4) 0.4408(7) 0.39258(13) 0.0267(13) Uani 1 1 d . . .
H3D H 0.750(3) 0.488(5) 0.3719(10) 0.016(11) Uiso 1 1 d . . .
H3E H 0.786(4) 0.329(7) 0.3948(13) 0.044(17) Uiso 1 1 d . . .
H3F H 0.853(4) 0.476(6) 0.3897(12) 0.042(16) Uiso 1 1 d . . .
B4 B 0.6289(4) 0.1317(6) 0.35689(12) 0.0239(11) Uani 1 1 d . . .
H4D H 0.688(3) 0.180(6) 0.3543(11) 0.025(13) Uiso 1 1 d . . .
H4E H 0.606(3) 0.169(6) 0.3781(13) 0.042(16) Uiso 1 1 d . . .
H4F H 0.627(4) 0.011(8) 0.3554(14) 0.057(18) Uiso 1 1 d . . .
C19 C 0.6366(3) 0.4870(5) 0.42426(9) 0.0145(9) Uani 1 1 d . . .
C20 C 0.7587(3) 0.7390(6) 0.41745(13) 0.0311(12) Uani 1 1 d . . .
H20A H 0.8194 0.7612 0.4173 0.047 Uiso 1 1 calc R . .
H20B H 0.7365 0.7980 0.4334 0.047 Uiso 1 1 calc R . .
H20C H 0.7275 0.7647 0.3977 0.047 Uiso 1 1 calc R . .
C21 C 0.8094(3) 0.5174(7) 0.46157(11) 0.0348(13) Uani 1 1 d . . .
H21A H 0.8669 0.5567 0.4605 0.052 Uiso 1 1 calc R . .
H21B H 0.8129 0.4107 0.4668 0.052 Uiso 1 1 calc R . .
H21C H 0.7829 0.5719 0.4772 0.052 Uiso 1 1 calc R . .
C22 C 0.6036(4) 0.7450(6) 0.46979(12) 0.0347(12) Uani 1 1 d . . .
H22A H 0.6601 0.7866 0.4681 0.052 Uiso 1 1 calc R . .
H22B H 0.6072 0.6754 0.4870 0.052 Uiso 1 1 calc R . .
H22C H 0.5640 0.8263 0.4730 0.052 Uiso 1 1 calc R . .
C23 C 0.5475(3) 0.7838(6) 0.40216(12) 0.0320(12) Uani 1 1 d . . .
H23A H 0.5451 0.7330 0.3825 0.048 Uiso 1 1 calc R . .
H23B H 0.5951 0.8549 0.4043 0.048 Uiso 1 1 calc R . .
H23C H 0.4940 0.8378 0.4033 0.048 Uiso 1 1 calc R . .
C24 C 0.4539(3) 0.5762(6) 0.44002(13) 0.0324(13) Uani 1 1 d . . .
H24A H 0.4272 0.5241 0.4219 0.049 Uiso 1 1 calc R . .
H24B H 0.4189 0.6628 0.4442 0.049 Uiso 1 1 calc R . .
H24C H 0.4583 0.5078 0.4574 0.049 Uiso 1 1 calc R . .
C25 C 0.6230(3) 0.3515(6) 0.48897(11) 0.0300(12) Uani 1 1 d . . .
H25A H 0.6059 0.2612 0.4992 0.045 Uiso 1 1 calc R . .
H25B H 0.5829 0.4327 0.4917 0.045 Uiso 1 1 calc R . .
H25C H 0.6805 0.3812 0.4977 0.045 Uiso 1 1 calc R . .
C26 C 0.5166(3) 0.2203(6) 0.43470(13) 0.0327(12) Uani 1 1 d . . .
H26A H 0.5036 0.1481 0.4501 0.049 Uiso 1 1 calc R . .
H26B H 0.5193 0.1682 0.4154 0.049 Uiso 1 1 calc R . .
H26C H 0.4718 0.2967 0.4320 0.049 Uiso 1 1 calc R . .
C27 C 0.7036(3) 0.1621(5) 0.44463(12) 0.0256(11) Uani 1 1 d . . .
H27A H 0.6946 0.0811 0.4588 0.038 Uiso 1 1 calc R . .
H27B H 0.7608 0.2040 0.4498 0.038 Uiso 1 1 calc R . .
H27C H 0.6980 0.1225 0.4239 0.038 Uiso 1 1 calc R . .
C28 C 0.5584(3) 0.4166(5) 0.32860(10) 0.0164(9) Uani 1 1 d . . .
C29 C 0.5470(3) 0.1375(6) 0.28917(11) 0.0302(11) Uani 1 1 d . . .
H29A H 0.5391 0.0289 0.2903 0.045 Uiso 1 1 calc R . .
H29B H 0.6019 0.1589 0.2819 0.045 Uiso 1 1 calc R . .
H29C H 0.5008 0.1809 0.2751 0.045 Uiso 1 1 calc R . .
C30 C 0.4439(3) 0.1565(6) 0.33668(13) 0.0341(13) Uani 1 1 d . . .
H30A H 0.4401 0.0472 0.3348 0.051 Uiso 1 1 calc R . .
H30B H 0.3980 0.2027 0.3229 0.051 Uiso 1 1 calc R . .
H30C H 0.4382 0.1854 0.3577 0.051 Uiso 1 1 calc R . .
C31 C 0.3839(3) 0.4626(7) 0.28709(13) 0.0362(13) Uani 1 1 d . . .
H31A H 0.3609 0.3631 0.2906 0.054 Uiso 1 1 calc R . .
H31B H 0.4165 0.4585 0.2697 0.054 Uiso 1 1 calc R . .
H31C H 0.3368 0.5341 0.2829 0.054 Uiso 1 1 calc R . .
C32 C 0.3916(3) 0.5132(7) 0.35469(12) 0.0338(12) Uani 1 1 d . . .
H32A H 0.4301 0.5039 0.3737 0.051 Uiso 1 1 calc R . .
H32B H 0.3540 0.4256 0.3522 0.051 Uiso 1 1 calc R . .
H32C H 0.3571 0.6042 0.3554 0.051 Uiso 1 1 calc R . .
C33 C 0.4719(3) 0.7288(5) 0.31532(12) 0.0295(12) Uani 1 1 d . . .
H33A H 0.5106 0.7702 0.3322 0.044 Uiso 1 1 calc R . .
H33B H 0.4169 0.7806 0.3140 0.044 Uiso 1 1 calc R . .
H33C H 0.4966 0.7426 0.2963 0.044 Uiso 1 1 calc R . .
C34 C 0.7378(3) 0.3671(6) 0.30479(12) 0.0287(11) Uani 1 1 d . . .
H34A H 0.7205 0.2671 0.2973 0.043 Uiso 1 1 calc R . .
H34B H 0.7668 0.3594 0.3256 0.043 Uiso 1 1 calc R . .
H34C H 0.7766 0.4113 0.2916 0.043 Uiso 1 1 calc R . .
C35 C 0.6822(3) 0.6784(6) 0.31814(13) 0.0333(13) Uani 1 1 d . . .
H35A H 0.7338 0.7014 0.3088 0.050 Uiso 1 1 calc R . .
H35B H 0.6958 0.6769 0.3403 0.050 Uiso 1 1 calc R . .
H35C H 0.6389 0.7552 0.3124 0.050 Uiso 1 1 calc R . .
C36 C 0.5954(3) 0.5095(6) 0.26315(11) 0.0334(12) Uani 1 1 d . . .
H36A H 0.5813 0.4102 0.2546 0.050 Uiso 1 1 calc R . .
H36B H 0.6380 0.5570 0.2520 0.050 Uiso 1 1 calc R . .
H36C H 0.5438 0.5714 0.2615 0.050 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'
P P 0.1023 0.0942 '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'
B B 0.0013 0.0007 '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
P1 Mg1 P2 171.54(7) . . ?
P1 Mg1 B1 40.38(13) . . ?
P1 Mg1 H1B 54.7(11) . . ?
P1 Mg1 H1A 54.8(13) . . ?
P1 Mg1 B2 132.63(15) . . ?
P1 Mg1 H2F 116.9(12) . . ?
P1 Mg1 H2E 122.4(16) . . ?
P1 Mg1 C1 37.69(12) . . ?
P1 Mg1 C10 146.14(13) . . ?
P2 Mg1 B1 131.74(14) . . ?
P2 Mg1 H1B 116.9(11) . . ?
P2 Mg1 H1A 120.1(13) . . ?
P2 Mg1 B2 40.46(14) . . ?
P2 Mg1 H2F 54.7(12) . . ?
P2 Mg1 H2E 53.4(16) . . ?
P2 Mg1 C1 147.93(14) . . ?
P2 Mg1 C10 37.83(11) . . ?
B1 Mg1 H1B 24.9(11) . . ?
B1 Mg1 H1A 27.4(14) . . ?
B1 Mg1 B2 104.4(2) . . ?
B1 Mg1 H2F 80.9(12) . . ?
B1 Mg1 H2E 108.7(16) . . ?
B1 Mg1 C1 76.49(17) . . ?
B1 Mg1 C10 129.06(18) . . ?
H1B Mg1 H1A 48.2(17) . . ?
H1B Mg1 B2 82.0(11) . . ?
H1B Mg1 H2F 62.2(16) . . ?
H1B Mg1 H2E 84(2) . . ?
H1B Mg1 C1 82.5(11) . . ?
H1B Mg1 C10 133.6(11) . . ?
H1A Mg1 B2 111.6(13) . . ?
H1A Mg1 H2F 85.2(18) . . ?
H1A Mg1 H2E 125(2) . . ?
H1A Mg1 C1 92.0(13) . . ?
H1A Mg1 C10 103.6(14) . . ?
B2 Mg1 H2F 26.4(12) . . ?
B2 Mg1 H2E 22.2(16) . . ?
B2 Mg1 C1 129.60(19) . . ?
B2 Mg1 C10 77.00(18) . . ?
H2F Mg1 H2E 44.3(19) . . ?
H2F Mg1 C1 134.6(12) . . ?
H2F Mg1 C10 82.4(12) . . ?
H2E Mg1 C1 108.5(17) . . ?
H2E Mg1 C10 91.1(16) . . ?
C1 Mg1 C10 141.47(17) . . ?
Mg1 P1 B1 58.90(18) . . ?
Mg1 P1 C1 51.19(15) . . ?
Mg1 P1 C2 149.18(19) . . ?
Mg1 P1 C3 109.12(19) . . ?
B1 P1 C1 107.4(2) . . ?
B1 P1 C2 113.7(3) . . ?
B1 P1 C3 104.9(3) . . ?
C1 P1 C2 115.5(2) . . ?
C1 P1 C3 113.2(2) . . ?
C2 P1 C3 101.7(3) . . ?
Mg1 P2 B2 59.36(18) . . ?
Mg1 P2 C10 50.77(15) . . ?
Mg1 P2 C11 147.0(2) . . ?
Mg1 P2 C12 110.9(2) . . ?
B2 P2 C10 107.9(2) . . ?
B2 P2 C11 113.4(3) . . ?
B2 P2 C12 104.4(3) . . ?
C10 P2 C11 114.8(2) . . ?
C10 P2 C12 113.9(3) . . ?
C11 P2 C12 102.0(3) . . ?
C1 Si1 C4 112.2(2) . . ?
C1 Si1 C5 113.9(2) . . ?
C1 Si1 C6 114.7(2) . . ?
C4 Si1 C5 106.0(2) . . ?
C4 Si1 C6 104.8(2) . . ?
C5 Si1 C6 104.3(2) . . ?
C1 Si2 C7 112.7(2) . . ?
C1 Si2 C8 112.6(2) . . ?
C1 Si2 C9 113.9(2) . . ?
C7 Si2 C8 106.3(2) . . ?
C7 Si2 C9 104.5(3) . . ?
C8 Si2 C9 106.2(2) . . ?
C10 Si3 C13 114.3(3) . . ?
C10 Si3 C14 112.7(2) . . ?
C10 Si3 C15 112.0(2) . . ?
C13 Si3 C14 104.0(3) . . ?
C13 Si3 C15 106.8(3) . . ?
C14 Si3 C15 106.3(2) . . ?
C10 Si4 C16 114.8(2) . . ?
C10 Si4 C17 113.4(2) . . ?
C10 Si4 C18 112.2(2) . . ?
C16 Si4 C17 106.1(2) . . ?
C16 Si4 C18 104.6(2) . . ?
C17 Si4 C18 104.9(2) . . ?
Mg1 B1 P1 80.7(2) . . ?
Mg1 B1 H1C 159(3) . . ?
Mg1 B1 H1B 68(2) . . ?
Mg1 B1 H1A 48(2) . . ?
P1 B1 H1C 114(3) . . ?
P1 B1 H1B 109(2) . . ?
P1 B1 H1A 98(2) . . ?
H1C B1 H1B 117(4) . . ?
H1C B1 H1A 113(3) . . ?
H1B B1 H1A 104(3) . . ?
Mg1 B2 P2 80.2(2) . . ?
Mg1 B2 H2F 69(2) . . ?
Mg1 B2 H2E 46(3) . . ?
Mg1 B2 H2D 161(4) . . ?
P2 B2 H2F 106(3) . . ?
P2 B2 H2E 101(3) . . ?
P2 B2 H2D 115(4) . . ?
H2F B2 H2E 102(4) . . ?
H2F B2 H2D 115(4) . . ?
H2E B2 H2D 116(5) . . ?
Mg1 C1 P1 91.1(2) . . ?
Mg1 C1 Si1 103.3(2) . . ?
Mg1 C1 Si2 124.1(2) . . ?
P1 C1 Si1 113.3(2) . . ?
P1 C1 Si2 113.4(2) . . ?
Si1 C1 Si2 110.3(2) . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C3 H3A 109.5 . . ?
P1 C3 H3B 109.5 . . ?
P1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Mg1 C10 P2 91.40(19) . . ?
Mg1 C10 Si3 119.9(2) . . ?
Mg1 C10 Si4 104.5(2) . . ?
P2 C10 Si3 113.9(2) . . ?
P2 C10 Si4 113.3(2) . . ?
Si3 C10 Si4 112.1(2) . . ?
P2 C11 H11A 109.5 . . ?
P2 C11 H11B 109.5 . . ?
P2 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P2 C12 H12A 109.5 . . ?
P2 C12 H12B 109.5 . . ?
P2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si4 C16 H16A 109.5 . . ?
Si4 C16 H16B 109.5 . . ?
Si4 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si4 C17 H17A 109.5 . . ?
Si4 C17 H17B 109.5 . . ?
Si4 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
Si4 C18 H18B 109.5 . . ?
Si4 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P3 Mg2 P4 170.41(7) . . ?
P3 Mg2 B3 40.11(14) . . ?
P3 Mg2 H3D 54.5(12) . . ?
P3 Mg2 B4 130.75(14) . . ?
P3 Mg2 H4D 116.3(12) . . ?
P3 Mg2 H4E 120.3(15) . . ?
P3 Mg2 C19 37.55(11) . . ?
P3 Mg2 C28 148.06(13) . . ?
P4 Mg2 B3 131.56(15) . . ?
P4 Mg2 H3D 120.6(12) . . ?
P4 Mg2 B4 40.63(12) . . ?
P4 Mg2 H4D 54.1(12) . . ?
P4 Mg2 H4E 54.2(15) . . ?
P4 Mg2 C19 147.79(12) . . ?
P4 Mg2 C28 37.62(11) . . ?
B3 Mg2 H3D 26.1(13) . . ?
B3 Mg2 B4 103.2(2) . . ?
B3 Mg2 H4D 81.4(12) . . ?
B3 Mg2 H4E 109.8(15) . . ?
B3 Mg2 C19 76.48(17) . . ?
B3 Mg2 C28 129.68(18) . . ?
H3D Mg2 B4 109.8(13) . . ?
H3D Mg2 H4D 85.3(18) . . ?
H3D Mg2 H4E 126(2) . . ?
H3D Mg2 C19 91.5(13) . . ?
H3D Mg2 C28 105.4(13) . . ?
B4 Mg2 H4D 24.5(12) . . ?
B4 Mg2 H4E 25.5(16) . . ?
B4 Mg2 C19 129.76(18) . . ?
B4 Mg2 C28 76.84(17) . . ?
H4D Mg2 H4E 46.3(19) . . ?
H4D Mg2 C19 134.3(12) . . ?
H4D Mg2 C28 82.2(12) . . ?
H4E Mg2 C19 106.1(16) . . ?
H4E Mg2 C28 91.5(15) . . ?
C19 Mg2 C28 141.62(17) . . ?
Mg2 P3 B3 59.24(18) . . ?
Mg2 P3 C19 51.39(14) . . ?
Mg2 P3 C20 111.43(19) . . ?
Mg2 P3 C21 146.4(2) . . ?
B3 P3 C19 108.5(2) . . ?
B3 P3 C20 105.0(3) . . ?
B3 P3 C21 113.1(3) . . ?
C19 P3 C20 113.3(2) . . ?
C19 P3 C21 114.3(2) . . ?
C20 P3 C21 102.2(3) . . ?
Mg2 P4 B4 58.67(18) . . ?
Mg2 P4 C28 51.82(15) . . ?
Mg2 P4 C29 147.62(19) . . ?
Mg2 P4 C30 110.45(19) . . ?
B4 P4 C28 108.0(2) . . ?
B4 P4 C29 112.9(2) . . ?
B4 P4 C30 105.2(3) . . ?
C28 P4 C29 114.9(2) . . ?
C28 P4 C30 113.4(2) . . ?
C29 P4 C30 101.9(3) . . ?
C19 Si5 C22 113.2(2) . . ?
C19 Si5 C23 111.5(2) . . ?
C19 Si5 C24 114.1(2) . . ?
C22 Si5 C23 107.4(3) . . ?
C22 Si5 C24 103.9(2) . . ?
C23 Si5 C24 106.2(2) . . ?
C19 Si6 C25 112.9(2) . . ?
C19 Si6 C26 111.1(2) . . ?
C19 Si6 C27 115.4(2) . . ?
C25 Si6 C26 105.8(2) . . ?
C25 Si6 C27 105.8(2) . . ?
C26 Si6 C27 105.1(2) . . ?
C28 Si7 C34 114.2(2) . . ?
C28 Si7 C35 111.7(2) . . ?
C28 Si7 C36 112.3(2) . . ?
C34 Si7 C35 105.0(2) . . ?
C34 Si7 C36 105.4(2) . . ?
C35 Si7 C36 107.6(2) . . ?
C28 Si8 C31 113.7(2) . . ?
C28 Si8 C32 112.8(2) . . ?
C28 Si8 C33 113.2(2) . . ?
C31 Si8 C32 106.9(2) . . ?
C31 Si8 C33 103.8(2) . . ?
C32 Si8 C33 105.7(3) . . ?
Mg2 B3 P3 80.7(2) . . ?
Mg2 B3 H3D 51(2) . . ?
Mg2 B3 H3E 78(3) . . ?
Mg2 B3 H3F 155(3) . . ?
P3 B3 H3D 101(2) . . ?
P3 B3 H3E 110(3) . . ?
P3 B3 H3F 114(3) . . ?
H3D B3 H3E 114(4) . . ?
H3D B3 H3F 104(4) . . ?
H3E B3 H3F 114(4) . . ?
Mg2 B4 P4 80.7(2) . . ?
Mg2 B4 H4D 70(3) . . ?
Mg2 B4 H4E 55(3) . . ?
Mg2 B4 H4F 164(3) . . ?
P4 B4 H4D 107(3) . . ?
P4 B4 H4E 101(3) . . ?
P4 B4 H4F 111(3) . . ?
H4D B4 H4E 111(4) . . ?
H4D B4 H4F 115(4) . . ?
H4E B4 H4F 110(4) . . ?
Mg2 C19 P3 91.06(18) . . ?
Mg2 C19 Si5 121.3(2) . . ?
Mg2 C19 Si6 103.17(19) . . ?
P3 C19 Si5 114.5(2) . . ?
P3 C19 Si6 113.2(2) . . ?
Si5 C19 Si6 111.7(2) . . ?
P3 C20 H20A 109.5 . . ?
P3 C20 H20B 109.5 . . ?
P3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
P3 C21 H21A 109.5 . . ?
P3 C21 H21B 109.5 . . ?
P3 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si5 C22 H22A 109.5 . . ?
Si5 C22 H22B 109.5 . . ?
Si5 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si5 C23 H23A 109.5 . . ?
Si5 C23 H23B 109.5 . . ?
Si5 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si5 C24 H24A 109.5 . . ?
Si5 C24 H24B 109.5 . . ?
Si5 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si6 C25 H25A 109.5 . . ?
Si6 C25 H25B 109.5 . . ?
Si6 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si6 C26 H26A 109.5 . . ?
Si6 C26 H26B 109.5 . . ?
Si6 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si6 C27 H27A 109.5 . . ?
Si6 C27 H27B 109.5 . . ?
Si6 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Mg2 C28 P4 90.56(19) . . ?
Mg2 C28 Si7 103.12(19) . . ?
Mg2 C28 Si8 121.7(2) . . ?
P4 C28 Si7 113.7(2) . . ?
P4 C28 Si8 114.3(2) . . ?
Si7 C28 Si8 111.7(2) . . ?
P4 C29 H29A 109.5 . . ?
P4 C29 H29B 109.5 . . ?
P4 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
P4 C30 H30A 109.5 . . ?
P4 C30 H30B 109.5 . . ?
P4 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si8 C31 H31A 109.5 . . ?
Si8 C31 H31B 109.5 . . ?
Si8 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si8 C32 H32A 109.5 . . ?
Si8 C32 H32B 109.5 . . ?
Si8 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si8 C33 H33A 109.5 . . ?
Si8 C33 H33B 109.5 . . ?
Si8 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si7 C34 H34A 109.5 . . ?
Si7 C34 H34B 109.5 . . ?
Si7 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si7 C35 H35A 109.5 . . ?
Si7 C35 H35B 109.5 . . ?
Si7 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si7 C36 H36A 109.5 . . ?
Si7 C36 H36B 109.5 . . ?
Si7 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 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 P1 2.913(2) . ?
Mg1 P2 2.9192(19) . ?
Mg1 B1 2.527(6) . ?
Mg1 H1B 2.35(5) . ?
Mg1 H1A 1.94(5) . ?
Mg1 B2 2.549(6) . ?
Mg1 H2F 2.40(5) . ?
Mg1 H2E 1.98(5) . ?
Mg1 C1 2.270(5) . ?
Mg1 C10 2.262(5) . ?
P1 B1 1.912(5) . ?
P1 C1 1.781(5) . ?
P1 C2 1.798(5) . ?
P1 C3 1.816(5) . ?
P2 B2 1.922(6) . ?
P2 C10 1.791(4) . ?
P2 C11 1.812(5) . ?
P2 C12 1.798(6) . ?
Si1 C1 1.896(5) . ?
Si1 C4 1.871(5) . ?
Si1 C5 1.894(5) . ?
Si1 C6 1.885(5) . ?
Si2 C1 1.890(5) . ?
Si2 C7 1.870(5) . ?
Si2 C8 1.872(5) . ?
Si2 C9 1.892(5) . ?
Si3 C10 1.880(4) . ?
Si3 C13 1.882(6) . ?
Si3 C14 1.883(5) . ?
Si3 C15 1.878(5) . ?
Si4 C10 1.878(5) . ?
Si4 C16 1.888(5) . ?
Si4 C17 1.890(5) . ?
Si4 C18 1.901(5) . ?
B1 H1C 1.08(5) . ?
B1 H1B 1.06(5) . ?
B1 H1A 1.20(5) . ?
B2 H2F 1.14(5) . ?
B2 H2E 1.04(6) . ?
B2 H2D 1.03(6) . ?
C2 H2A 0.980 . ?
C2 H2B 0.980 . ?
C2 H2C 0.980 . ?
C3 H3A 0.980 . ?
C3 H3B 0.980 . ?
C3 H3C 0.980 . ?
C4 H4A 0.980 . ?
C4 H4B 0.980 . ?
C4 H4C 0.980 . ?
C5 H5A 0.980 . ?
C5 H5B 0.980 . ?
C5 H5C 0.980 . ?
C6 H6A 0.980 . ?
C6 H6B 0.980 . ?
C6 H6C 0.980 . ?
C7 H7A 0.980 . ?
C7 H7B 0.980 . ?
C7 H7C 0.980 . ?
C8 H8A 0.980 . ?
C8 H8B 0.980 . ?
C8 H8C 0.980 . ?
C9 H9A 0.980 . ?
C9 H9B 0.980 . ?
C9 H9C 0.980 . ?
C11 H11A 0.980 . ?
C11 H11B 0.980 . ?
C11 H11C 0.980 . ?
C12 H12A 0.980 . ?
C12 H12B 0.980 . ?
C12 H12C 0.980 . ?
C13 H13A 0.980 . ?
C13 H13B 0.980 . ?
C13 H13C 0.980 . ?
C14 H14A 0.980 . ?
C14 H14B 0.980 . ?
C14 H14C 0.980 . ?
C15 H15A 0.980 . ?
C15 H15B 0.980 . ?
C15 H15C 0.980 . ?
C16 H16A 0.980 . ?
C16 H16B 0.980 . ?
C16 H16C 0.980 . ?
C17 H17A 0.980 . ?
C17 H17B 0.980 . ?
C17 H17C 0.980 . ?
C18 H18A 0.980 . ?
C18 H18B 0.980 . ?
C18 H18C 0.980 . ?
Mg2 P3 2.9230(19) . ?
Mg2 P4 2.9089(19) . ?
Mg2 B3 2.546(6) . ?
Mg2 H3D 2.03(4) . ?
Mg2 B4 2.518(6) . ?
Mg2 H4D 2.37(5) . ?
Mg2 H4E 2.09(6) . ?
Mg2 C19 2.285(4) . ?
Mg2 C28 2.287(5) . ?
P3 B3 1.908(6) . ?
P3 C19 1.782(4) . ?
P3 C20 1.814(5) . ?
P3 C21 1.822(5) . ?
P4 B4 1.919(5) . ?
P4 C28 1.776(5) . ?
P4 C29 1.826(5) . ?
P4 C30 1.805(5) . ?
Si5 C19 1.877(4) . ?
Si5 C22 1.894(5) . ?
Si5 C23 1.878(5) . ?
Si5 C24 1.883(5) . ?
Si6 C19 1.893(4) . ?
Si6 C25 1.880(5) . ?
Si6 C26 1.883(5) . ?
Si6 C27 1.871(5) . ?
Si7 C28 1.886(5) . ?
Si7 C34 1.893(5) . ?
Si7 C35 1.882(5) . ?
Si7 C36 1.895(5) . ?
Si8 C28 1.879(4) . ?
Si8 C31 1.884(5) . ?
Si8 C32 1.873(5) . ?
Si8 C33 1.869(5) . ?
B3 H3D 1.15(4) . ?
B3 H3E 1.01(6) . ?
B3 H3F 1.04(6) . ?
B4 H4D 1.05(5) . ?
B4 H4E 1.10(6) . ?
B4 H4F 1.08(7) . ?
C20 H20A 0.980 . ?
C20 H20B 0.980 . ?
C20 H20C 0.980 . ?
C21 H21A 0.980 . ?
C21 H21B 0.980 . ?
C21 H21C 0.980 . ?
C22 H22A 0.980 . ?
C22 H22B 0.980 . ?
C22 H22C 0.980 . ?
C23 H23A 0.980 . ?
C23 H23B 0.980 . ?
C23 H23C 0.980 . ?
C24 H24A 0.980 . ?
C24 H24B 0.980 . ?
C24 H24C 0.980 . ?
C25 H25A 0.980 . ?
C25 H25B 0.980 . ?
C25 H25C 0.980 . ?
C26 H26A 0.980 . ?
C26 H26B 0.980 . ?
C26 H26C 0.980 . ?
C27 H27A 0.980 . ?
C27 H27B 0.980 . ?
C27 H27C 0.980 . ?
C29 H29A 0.980 . ?
C29 H29B 0.980 . ?
C29 H29C 0.980 . ?
C30 H30A 0.980 . ?
C30 H30B 0.980 . ?
C30 H30C 0.980 . ?
C31 H31A 0.980 . ?
C31 H31B 0.980 . ?
C31 H31C 0.980 . ?
C32 H32A 0.980 . ?
C32 H32B 0.980 . ?
C32 H32C 0.980 . ?
C33 H33A 0.980 . ?
C33 H33B 0.980 . ?
C33 H33C 0.980 . ?
C34 H34A 0.980 . ?
C34 H34B 0.980 . ?
C34 H34C 0.980 . ?
C35 H35A 0.980 . ?
C35 H35B 0.980 . ?
C35 H35C 0.980 . ?
C36 H36A 0.980 . ?
C36 H36B 0.980 . ?
C36 H36C 0.980 . ?
