<i>catena</i>-Poly[bis[dimethyl(pyridine-κ<i>N</i>)indium(III)]-μ~4~-benzene-1,3-diolato-bis[dimethylindium(III)]-μ~4~-benzene-1,3-diolato]
Briand, Glen G.; Decken, Andreas; Hoey, Marshall R.; Acta Crystallographica Section E 69 (2013) m622–; doi:10.1107/S1600536813028985

data_2238766
_publ_section_title
;
 <i>catena</i>-Poly[bis[dimethyl(pyridine-\k<i>N</i>)indium(III)]-\m~4~-benzene-1,3-diolato-bis[dimethylindium(III)]-\m~4~-benzene-1,3-diolato]
;
_journal_coeditor_code           LH5663
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m622
_journal_paper_doi               10.1107/S1600536813028985
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[In2 (C H3)4 (C6 H4 O2) (C5 H5 N1)]'
_chemical_formula_moiety         'C15 H21 In2 N O2'
_chemical_formula_sum            'C15 H21 In2 N O2'
_chemical_formula_weight         476.97
_chemical_name_systematic
<i>catena</i>-Poly[bis[dimethyl(pyridine-\k<i>N</i>)indium(III)]-\m~4~-benzene-1,3-diolato-bis[dimethylindium(III)]-\m~4~-benzene-1,3-diolato]
_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'
_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                 90.106(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1584(17)
_cell_length_b                   14.075(3)
_cell_length_c                   13.856(3)
_cell_measurement_reflns_used    5671
_cell_measurement_temperature    188.0(10)
_cell_measurement_theta_max      27.8925
_cell_measurement_theta_min      2.651
_cell_volume                     1786.1(6)
_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  'SHELXL2013 (Sheldrick, 2008<i>b</i>)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008<i>b</i>)'
_diffrn_ambient_temperature      188.0(10)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker P4/SMART 1000'
_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  0.0385
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12064
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    2.582
_exptl_absorpt_correction_T_max  0.9383
_exptl_absorpt_correction_T_min  0.6262
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008<i>a</i>)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rod
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.025
_exptl_crystal_size_min          0.025
_refine_diff_density_max         1.016
_refine_diff_density_min         -0.722
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         3967
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.156
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0347
_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^)+(0.0339P)^2^+1.2232P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0733
_refine_ls_wR_factor_ref         0.0867
_reflns_number_gt                2885
_reflns_number_total             3967
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5663.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2238766
_shelx_hkl_checksum              91993
_shelx_res_checksum              50248
_shelxl_version_number           20.13