Crystal structure of dimethyl-1κ^2^<i>C</i>-bis(μ-4-methylphenolato-1:2κ^2^<i>O</i>:<i>O</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-2κ^2^<i>N</i>,<i>N</i>')indium(III)lithium(I)
Briand, Glen G.; Decken, Andreas; Hoey, Marshall R.; Acta Crystallographica Section E 71 (2015) m257–m258; doi:10.1107/S2056989015023476

data_2241415
_publ_section_title
;
 Crystal structure of
 dimethyl-1\k^2^<i>C</i>-bis(\m-4-methylphenolato-1:2\k^2^<i>O</i>:<i>O</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-2\k^2^<i>N</i>,<i>N</i>')indium(III)lithium(I)
;
_journal_coeditor_code           LH5799
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m257
_journal_page_last               m258
_journal_paper_doi               10.1107/S2056989015023476
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[In Li (C H3)2 (C7 H7 O)2 (C6 H16 N2)]'
_chemical_formula_moiety         'C22 H36 In Li N2 O2'
_chemical_formula_sum            'C22 H36 In Li N2 O2'
_chemical_formula_weight         482.29
_chemical_name_systematic
Dimethyl-1\k^2^<i>C</i>-bis(\m-4-methylphenolato-1:2\k^2^<i>O</i>:<i>O</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-2\k^2^<i>N</i>,<i>N</i>')indium(III)lithium(I)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90.00
_cell_angle_beta                 91.9560(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0991(8)
_cell_length_b                   16.4481(15)
_cell_length_c                   16.4256(15)
_cell_measurement_reflns_used    5977
_cell_measurement_temperature    188.0(10)
_cell_measurement_theta_max      28.39
_cell_measurement_theta_min      2.48
_cell_volume                     2456.9(4)
_computing_cell_refinement
;
SAINT (Bruker, 2006)
;
_computing_data_collection
;
SMART (Bruker, 1999)
;
_computing_data_reduction
;
SAINT (Bruker, 2006)
;
_computing_molecular_graphics
;
Diamond (Brandenburg, 2012)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008<i>b</i>)
;
_computing_structure_refinement
;
SHELXL-2013 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS-97 (Sheldrick, 2008<i>b</i>)
;
_diffrn_ambient_temperature      188.0(10)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker  SMART1000/P4'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0246
_diffrn_reflns_av_sigmaI/netI    0.0211
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16648
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         27.491
_diffrn_reflns_theta_min         1.753
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.979
_exptl_absorpt_correction_T_max  0.5912
_exptl_absorpt_correction_T_min  0.5687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2008<i>a</i>)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.60
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.265
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         5459
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0281
_refine_ls_R_factor_gt           0.0249
_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^)+(0.0318P)^2^+1.1193P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0646
_refine_ls_wR_factor_ref         0.0669
_reflns_number_gt                4921
_reflns_number_total             5459
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            lh5799sup1.cif
_cod_data_source_block           I
_cod_database_code               2241415
_shelx_hkl_checksum              19651
_shelx_res_checksum              1357
_shelxl_version_number           20.13
_cod_database_fobs_code 2241415