A multidentate phosphinoalkoxide ligand as a building block in mixed polylithium aggregates
Feustel, Alexander; Müller, Gerhard; Chemical Communications  (2001) 1024–; doi:10.1039/b010115j

data_7114939
_publ_section_title
;
 A multidentate phosphinoalkoxide ligand as a building block in mixed
 polylithium aggregates
;
_journal_issue                   11
_journal_name_full               'Chemical Communications'
_journal_page_first              1024
_journal_paper_doi               10.1039/b010115j
_journal_year                    2001
_chemical_formula_moiety         'C36 H84 Li6 O2 P6'
_chemical_formula_sum            'C36 H84 Li6 O2 P6'
_chemical_formula_weight         776.5
_chemical_name_common            Li-alkoxid
_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'
_atom_sites_solution_hydrogens   'all methyl calcd., others found & fixed'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.000(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.440(2)
_cell_length_b                   17.2540(13)
_cell_length_c                   14.1210(13)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      14.2
_cell_measurement_theta_min      9.6
_cell_volume                     5089.8(8)
_computing_cell_refinement       'Enraf-Nonius CAD4 Celdim'
_computing_data_collection       'Enraf-Nonius CAD4'
_computing_data_reduction        'Enraf-Nonius MolEN'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'four-circle diffractometer'
_diffrn_measurement_method       'omega-2-theta scans'
_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  0.0218
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4698
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.53
_diffrn_standards_decay_%        4.1
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.236
_exptl_absorpt_correction_T_max  0.965
_exptl_absorpt_correction_T_min  0.782
_exptl_absorpt_correction_type   psi-scans
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.013
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.411
_refine_diff_density_min         -0.369
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4498
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0773P)^2^+3.2698P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1193
_refine_ls_wR_factor_ref         0.1322
_reflns_number_gt                3388
_reflns_number_total             4498
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b010115j.txt
_cod_data_source_block           k341_(A._Feustel)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7114939