The novel chain-like anion ~{∞~}^1^[NaMo~8~O~26~(mim)~2~]^3{-^} in (Hmim)~3~[NaMo~8~O~26~(mim)~2~] (mim is 1-methylimidazole)
Feldmann, Claus; Alam, Nure; Acta Crystallographica Section C 65 (2009) m494–m496; doi:10.1107/S0108270109045089

data_2017441
_publ_section_title
;
 The novel chain-like anion ~{\\infty ~}^1^[NaMo~8~O~26~(mim)~2~]^3{-^}
 in (Hmim)~3~[NaMo~8~O~26~(mim)~2~] (mim is 1-methylimidazole)
;
_journal_coeditor_code           KU3013
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m494
_journal_page_last               m496
_journal_paper_doi               10.1107/S0108270109045089
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '(C4 H7 N2)3 [Na Mo8 O26 (C4 H6 N2)2]'
_chemical_formula_moiety         '3(C4 H7 N2 +), C8 H12 Mo8 N4 Na O26 3-'
_chemical_formula_sum            'C20 H33 Mo8 N10 Na O26'
_chemical_formula_weight         1784.29
_chemical_name_common
;
Trimethylimidazolium sodium dimethylimidazole octamolybdate
;
_chemical_name_systematic
;
Tris(1-methylimidazolium)
bis(1-methylimidazole)hexacosaoxidooctamolybdatesodium
;
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.692(2)
_cell_length_b                   10.298(2)
_cell_length_c                   22.190(4)
_cell_measurement_reflns_used    6846
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      60.0
_cell_measurement_theta_min      3.0
_cell_volume                     2630.2(9)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2008)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2008)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_measurement_method       'imaging plate diffraction system'
_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  0.0579
_diffrn_reflns_av_sigmaI/netI    0.0499
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            22631
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         29.55
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    1.946
_exptl_absorpt_correction_T_max  0.5278
_exptl_absorpt_correction_T_min  0.3929
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE; Stoe & Cie, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.253
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1732
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.107
_refine_diff_density_min         -0.959
_refine_ls_extinction_coef       0.0032(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         7219
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0403
_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^)+(0.0602P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                5717
_reflns_number_total             7219
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ku3013.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2017441
_cod_database_fobs_code          2017441