Tetraalkylphosphonium polyoxometalates: electroactive, "task-specific" ionic liquids.
Rickert, Paul G.; Antonio, Mark R.; Firestone, Millicent A.; Kubatko, Karrie-Ann; Szreder, Tomasz; Wishart, James F.; Dietz, Mark L.; Dalton transactions (Cambridge, England : 2003)  (2007) 529–531; doi:10.1039/b614950m

data_7005021
_publ_section_title
;
 Tetraalkylphosphonium polyoxometalates: electroactive, "task-specific"
 ionic liquids.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              529
_journal_page_last               531
_journal_paper_doi               10.1039/b614950m
_journal_year                    2007
_chemical_formula_moiety         '2(C16 H36 N), O19 W6'
_chemical_formula_sum            'C32 H72 N2 O19 W6'
_chemical_formula_weight         1891.96
_chemical_name_common            'Tetraalkylammonium polyoxometalate'
_chemical_name_systematic
;
Tetraalkylammonium polyoxometalate
;
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2006-11-03T01:08:54-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                78.832(2)
_cell_angle_beta                 74.601(2)
_cell_angle_gamma                62.8050(10)
_cell_formula_units_Z            2
_cell_length_a                   11.5863(3)
_cell_length_b                   12.5910(4)
_cell_length_c                   19.0145(6)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35.9
_cell_measurement_theta_min      1.11
_cell_volume                     2370.21(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0654
_diffrn_reflns_av_unetI/netI     0.0423
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            86257
_diffrn_reflns_theta_full        35.9
_diffrn_reflns_theta_max         35.9
_diffrn_reflns_theta_min         1.11
_exptl_absorpt_coefficient_mu    14.57
_exptl_absorpt_correction_T_max  0.317
_exptl_absorpt_correction_T_min  0.157
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ellipsoidal
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.651
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocky
_exptl_crystal_F_000             1748
_exptl_crystal_size_max          .140
_exptl_crystal_size_mid          .110
_exptl_crystal_size_min          .080
_refine_diff_density_max         1.992
_refine_diff_density_min         -2.419
_refine_diff_density_rms         0.252
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     751
_refine_ls_number_reflns         21989
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.032
_refine_ls_R_factor_gt           0.0272
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0255P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0641
_refine_ls_wR_factor_ref         0.0669
_reflns_number_gt                19809
_reflns_number_total             21989
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b614950m.txt
_cod_data_source_block           revisions
_cod_original_cell_volume        2370.21(12)
_cod_database_code               7005021