<i>catena</i>-Poly[1-butyl-3-methylimidazolium [[dichlorido(methanol-κ<i>O</i>)(propan-2-ol-κ<i>O</i>)lanthanate(III)]-di-μ-chlorido]]
Han, Yulun; Dai, Fengrong; Sykes, Andrew G.; May, P. Stanley; Berry, Mary T.; Meng, Qingguo; Lin, Cuikun; Acta Crystallographica Section E 68 (2012) m292–m293; doi:10.1107/S160053681200517X

data_2234002
_publ_section_title
;
 <i>catena</i>-Poly[1-butyl-3-methylimidazolium
 [[dichlorido(methanol-\k<i>O</i>)(propan-2-ol-\k<i>O</i>)lanthanate(III)]-di-\m-chlorido]]
;
_journal_coeditor_code           SU2369
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m292
_journal_page_last               m293
_journal_paper_doi               10.1107/S160053681200517X
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '(C8 H15 N2) [La Cl4 (C H4 O) (C3 H8 O)]'
_chemical_formula_moiety         'C8 H15 N2 +, C4 H12 Cl4 La O2 -'
_chemical_formula_sum            'C12 H27 Cl4 La N2 O2'
_chemical_formula_weight         512.07
_chemical_name_systematic
;
<i>catena</i>-Poly[1-butyl-3-methylimidazolium [[dichlorido(methanol-
\k<i>O</i>)(propan-2-ol-\k<i>O</i>)lanthanate(III)]-di-\m-chlorido]]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                114.0090(10)
_cell_angle_beta                 109.7350(10)
_cell_angle_gamma                92.8570(10)
_cell_formula_units_Z            2
_cell_length_a                   9.5035(6)
_cell_length_b                   10.7413(6)
_cell_length_c                   11.8625(7)
_cell_measurement_reflns_used    8208
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.33
_cell_volume                     1016.20(11)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'Mercury (Macrae <i>et al.</i>, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1994)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11178
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    2.632
_exptl_absorpt_correction_T_max  0.8797
_exptl_absorpt_correction_T_min  0.5057
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             508
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.714
_refine_diff_density_min         -0.587
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     198
_refine_ls_number_reflns         4155
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0216
_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^)+(0.0193P)^2^+0.4077P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0473
_refine_ls_wR_factor_ref         0.0488
_reflns_number_gt                3780
_reflns_number_total             4155
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            su2369.cif
_cod_data_source_block           I
_cod_original_cell_volume        1016.20(10)
_cod_database_code               2234002
_cod_database_fobs_code          2234002