Synthesis and characterisation of organometallic imidazolium compounds that include a new organometallic ionic liquidThis paper is based on work presented at OMCOS 8 held at Santa Barbara, USA, 6?10 August 1995. Electronic supplementary information (ESI) available: Table of ionic liquids and melting points. See http://www.rsc.org/suppdata/dt/b3/b308252k/
Schottenberger, Herwig; Wurst, Klaus; Horvath, Ulrike E. I.; Cronje, Stephanie; Lukasser, Josef; Polin, Johann; McKenzie, Jean M.; Raubenheimer, Helgard G.; Dalton Transactions  (2003) 4275–; doi:10.1039/b308252k

data_7013449
_publ_section_title
;
 Synthesis and characterisation of organometallic imidazolium compounds
 that include a new organometallic ionic liquidThis paper is based on
 work presented at OMCOS 8 held at Santa Barbara, USA, 6?10 August
 1995. Electronic supplementary information (ESI) available: Table of
 ionic liquids and melting points. See
 http://www.rsc.org/suppdata/dt/b3/b308252k/
;
_journal_issue                   22
_journal_name_full               'Dalton Transactions'
_journal_page_first              4275
_journal_paper_doi               10.1039/b308252k
_journal_year                    2003
_chemical_formula_sum            'C14 H9 Co2 F6 N2 O6 P'
_chemical_formula_weight         564.06
_chemical_name_systematic
;
?
;
_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           SHELXL-97
_cell_angle_alpha                85.89(2)
_cell_angle_beta                 87.19(2)
_cell_angle_gamma                66.28(2)
_cell_formula_units_Z            2
_cell_length_a                   8.089(2)
_cell_length_b                   9.378(2)
_cell_length_c                   14.739(4)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      12.0
_cell_measurement_theta_min      5.0
_cell_volume                     1020.7(5)
_computing_cell_refinement       XSCANS
_computing_data_collection       XSCANS
_computing_data_reduction        XSCANS
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       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  0.0191
_diffrn_reflns_av_sigmaI/netI    0.0253
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4392
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.09
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.791
_exptl_absorpt_correction_T_max  0.842
_exptl_absorpt_correction_T_min  0.671
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.835
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.459
_refine_diff_density_min         -0.268
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       0.0001(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    'mixed, refined at C1'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     303
_refine_ls_number_reflns         3578
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0331
_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^)+(0.0435P)^2^+0.6396P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0815
_refine_ls_wR_factor_ref         0.0854
_reflns_number_gt                3006
_reflns_number_total             3578
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b308252k.txt
_cod_data_source_block           3c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'PSI-scans' was replaced
with 'psi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1020.7(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7013449