[Li{N(Me~3~SiNPPh~2~)~2~}]~2~.2.5C~7~H~8~
Van der Maelen Uría, Juan F.; Pandey, Sushil K.; Roesky, Herbert W.; Sheldrick, George M.; Acta Crystallographica Section C 50 (1994) 671–674; doi:10.1107/S0108270193010558

data_2009673
_publ_section_title
;
 [Li{N(Me~3~SiNPPh~2~)~2~}]~2~.2.5C~7~H~8~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              671
_journal_page_last               674
_journal_paper_doi               10.1107/S0108270193010558
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         '[Li (C30 H38 N3 P2 Si2 )2], 2.5C7 H8'
_chemical_formula_sum            'C77.5 H96 Li2 N6 P4 Si4'
_chemical_formula_weight         1361.72
_chemical_name_systematic
;
bis[bis(trimethylsilylamino-1\k^2^N'-diphenylphosphino-\k^2^P)-\m-aminato-
1\k^2^N:2\k^2^N]-dilithium(Li-Li) toluene solvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 92.91(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   51.814(10)
_cell_length_b                   12.232(2)
_cell_length_c                   23.984(5)
_cell_measurement_reflns_used    60
_cell_measurement_temperature    187(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      20
_cell_volume                     15181(5)
_computing_cell_refinement       'DIF4 (Stoe & Cie, 1988)'
_computing_data_collection       'DIF4 (Stoe & Cie, 1988)'
_computing_data_reduction        'REDU4 (Stoe & Cie, 1988)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1987)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      187(2)
_diffrn_measurement_device       'Stoe-Siemens AED four-circle diffractometer'
_diffrn_measurement_method       'Profile data from 2\q/\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  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -3
_diffrn_reflns_number            8169
_diffrn_reflns_theta_max         20.00
_diffrn_reflns_theta_min         4.02
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.208
_exptl_absorpt_correction_T_max  0.779
_exptl_absorpt_correction_T_min  0.761
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.192
_exptl_crystal_description       'Transparent needles'
_exptl_crystal_F_000             5800
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         .325
_refine_diff_density_min         -.476
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.025
_refine_ls_goodness_of_fit_obs   1.079
_refine_ls_matrix_type           full
_refine_ls_number_parameters     908
_refine_ls_number_reflns         7037
_refine_ls_number_restraints     441
_refine_ls_restrained_S_all      1.022
_refine_ls_restrained_S_obs      1.070
_refine_ls_R_factor_all          0.0830
_refine_ls_R_factor_obs          0.0557
_refine_ls_shift/esd_max         -0.237
_refine_ls_shift/esd_mean        0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;calc w = 1/[\s^2^(F~o~^2^) + (0.0712P)^2^ + 69.5000P] where
P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1535
_refine_ls_wR_factor_obs         0.1343
_reflns_number_observed          5113
_reflns_number_total             7038
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            al1068.cif
_cod_data_source_block           pandey
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        15181.(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C77.50 H96 Li2 N6 P4 Si4'
_cod_database_code               2009673