Solvent-free mesityllithium: solid-state structure and its reactivity towards white phosphorus.
Hübner, Alexander; Bernert, Thomas; Sänger, Inge; Alig, Edith; Bolte, Michael; Fink, Lothar; Wagner, Matthias; Lerner, Hans-Wolfram; Dalton transactions (Cambridge, England : 2003) 39 (2010) 7528–7533; doi:10.1039/c0dt00161a

data_7026056
_publ_section_title
;
 Solvent-free mesityllithium: solid-state structure and its reactivity
 towards white phosphorus.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7528
_journal_page_last               7533
_journal_paper_doi               10.1039/c0dt00161a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_iupac          'C18 H22 Li2'
_chemical_formula_moiety         'C18 H22 Li2'
_chemical_formula_structural     'C18 H22 Li2'
_chemical_formula_sum            'C18 H22 Li2'
_chemical_formula_weight         251.8
_chemical_name_common            Mesityllithium
_chemical_name_systematic        Mesityllithium
_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'
_audit_update_record
;
2010-01-28 # Formatted by publCIF
;
_cell_angle_alpha                90
_cell_angle_beta                 96.5964(17)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.27957(61)
_cell_length_b                   10.61806(43)
_cell_length_c                   4.74612(19)
_cell_measurement_temperature    298
_cell_volume                     764.91(5)
_computing_cell_refinement       'DASH (David <i> et al.</i> , 2004)'
_computing_data_collection       'STOE WINXPOW (STOE & Cie GmbH, 2004)'
_computing_data_reduction        'DASH (David <i>et al.</i>, 2004)'
_computing_molecular_graphics    'MERCURY (Macrea <i>et al.</i>)'
_computing_structure_refinement  'TOPAS (Coelho, 2007)'
_computing_structure_solution    'DASH (David <i>et al.</i>, 2004)'
_diffrn_ambient_temperature      298
_diffrn_detector_type            'lin psd'
_diffrn_measurement_device_type  'STOE Stadi-P'
_diffrn_radiation_monochromator  'primary focussing, Ge 111'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    0.43
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.095
_exptl_crystal_F_000             272.0
_pd_instr_location               ' ?'
_pd_meas_2theta_range_max        100
_pd_meas_2theta_range_min        2
_pd_meas_scan_method             step
_pd_proc_2theta_range_max        100
_pd_proc_2theta_range_min        5
_pd_proc_info_excluded_regions   none
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function
;
modified Thompson-Cox-Hastings pseudo-Voigt (Young, 1993)
;
_pd_proc_ls_prof_R_factor        0.001604
_pd_proc_ls_prof_wR_expected     0.001360
_pd_proc_ls_prof_wR_factor       0.002062
_pd_spec_mounting
;
Specimen was sealed in a 0.5 mm diameter borosilicate glass capillary
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              12
_pd_spec_size_equat              0.5
_pd_spec_size_thick              0.5
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.516
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    3
_refine_ls_number_parameters     112
_refine_ls_number_restraints     39
_refine_ls_R_I_factor            0.009115
_refine_ls_weighting_details     w=1/\s(Y~obs~)^2^
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            c0dt00161a.txt
_cod_data_source_block           Mesityllithium
_cod_original_cell_volume        764.910(53)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7026056