A Novel Type of Phosphide: Synthesis and X-ray Crystal Structure Analysis of (tBu~3~Si)~3~P~4~Li~3~
Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael; Chemical communications (Cambridge, United Kingdom)  (2003) 990–991; doi:10.1039/b210984k

data_7104062
_publ_section_title
;
 A Novel Type of Phosphide: Synthesis and X-ray Crystal Structure Analysis
 of (tBu~3~Si)~3~P~4~Li~3~
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   8
_journal_name_full
;
 Chemical communications (Cambridge, United Kingdom)
;
_journal_page_first              990
_journal_page_last               991
_journal_paper_doi               10.1039/b210984k
_journal_year                    2003
_chemical_formula_sum            'C81 H171 Li6 P8 Si6'
_chemical_formula_weight         1603.12
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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                 90.046(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.146(4)
_cell_length_b                   17.600(2)
_cell_length_c                   27.087(7)
_cell_volume                     10558(4)
_computing_cell_refinement       'X-Area (Stoe & Cie, 2001)'
_computing_data_collection       'X-Area (Stoe & Cie, 2001)'
_computing_data_reduction        'X-Area (Stoe & Cie, 2001)'
_computing_molecular_graphics    'XP in SHELXTL-Plus (Sheldrick, 1991)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997) '
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990) '
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.908
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       \w
_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  0.2602
_diffrn_reflns_av_sigmaI/netI    0.4957
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            40522
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         3.35
_refine_diff_density_max         0.689
_refine_diff_density_min         -0.335
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.755
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     881
_refine_ls_number_reflns         17323
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.755
_refine_ls_R_factor_all          0.2780
_refine_ls_R_factor_gt           0.0981
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0274P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1605
_refine_ls_wR_factor_ref         0.2338
_reflns_number_gt                4059
_reflns_number_total             17323
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b210984k.txt
_cod_data_source_block           wa155
_cod_database_code               7104062