Bis(μ-2,2''-dimethoxy-<i>m</i>-terphenyl)di-μ~3~-iodo-bis(tetrahydrofuran)tetralithium(I)
Rabe, Gerd W.; Zhang-Presse, Mei; Yap, Glenn P. A.; Acta Crystallographica Section E 58 (2002) m434–m435; doi:10.1107/S1600536802012345

data_2201419
_publ_section_title
Bis(\m-2,2''-dimethoxy-<i>m</i>-terphenyl)di-\m~3~-iodo-bis(tetrahydrofuran)tetralithium(I)
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m434
_journal_page_last               m435
_journal_paper_doi               10.1107/S1600536802012345
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Li4 I2 (C4 H8 O)2 (C20 H17 O2)2]'
_chemical_formula_moiety         'C48 H50 I2 Li4 O6'
_chemical_formula_sum            'C48 H50 I2 Li4 O6'
_chemical_formula_weight         1004.44
_chemical_name_systematic
;
{(2,6-Di-o-anisol-phenyl)(\m-Li)[\m-Li(tetrahydrofuran)I]}~2~
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 92.009(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.1825(14)
_cell_length_b                   14.863(2)
_cell_length_c                   15.396(2)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      1.47
_cell_volume                     2328.6(5)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker 2001)'
_computing_data_reduction        'SAINT (Bruker 2001)'
_computing_molecular_graphics    'SHELXTL (Bruker 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker (Siemens) 1K CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.1279
_diffrn_reflns_av_sigmaI/netI    0.1527
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            14670
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.91
_diffrn_standards_decay_%        <1
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.395
_exptl_absorpt_correction_T_max  0.972
_exptl_absorpt_correction_T_min  0.866
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.584
_refine_diff_density_min         -0.660
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         4726
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1594
_refine_ls_R_factor_gt           0.0677
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.039P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1200
_reflns_number_gt                2429
_reflns_number_total             4726
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cm6012.cif
_cod_data_source_block           I
_cod_original_cell_volume        2328.7(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2201419
_cod_database_fobs_code          2201419