Mercury(ii) partitioning from aqueous solutions with a new, hydrophobic ethylene-glycol functionalized bis-imidazolium ionic liquidThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.
Holbrey, John D.; Visser, Ann E.; Spear, Scott K.; Reichert, W. Matthew; Swatloski, Richard P.; Broker, Grant A.; Rogers, Robin D.; Green Chemistry 5 (2003) 129–; doi:10.1039/b300971h

data_7204604
_publ_section_title
;
 Mercury(ii) partitioning from aqueous solutions with a new,
 hydrophobic ethylene-glycol functionalized bis-imidazolium ionic
 liquidThis work was presented at the Green Solvents for Catalysis
 Meeting held in Bruchsal, Germany, 13--16th October 2002.
;
_journal_issue                   2
_journal_name_full               'Green Chemistry'
_journal_page_first              129
_journal_paper_doi               10.1039/b300971h
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'C30 H44 Hg N4 O11 S2'
_chemical_formula_weight         901.40
_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                83.209(4)
_cell_angle_beta                 84.160(4)
_cell_angle_gamma                67.666(5)
_cell_formula_units_Z            2
_cell_length_a                   10.086(3)
_cell_length_b                   12.459(3)
_cell_length_c                   15.204(4)
_cell_measurement_reflns_used    974
_cell_measurement_temperature    173(2)
_cell_volume                     1751.5(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0407
_diffrn_reflns_av_sigmaI/netI    0.0393
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7935
_diffrn_reflns_theta_full        23.30
_diffrn_reflns_theta_max         23.30
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    4.576
_exptl_absorpt_correction_T_max  0.970265
_exptl_absorpt_correction_T_min  0.511978
_exptl_absorpt_correction_type   SADABS
_exptl_absorpt_process_details
; 2-theta dependent absorption corrections applied for an effective sphere
with mu*diameter =   0.040
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.634
_refine_diff_density_min         -1.505
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     565
_refine_ls_number_reflns         5002
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0369
_refine_ls_shift/su_max          0.912
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; 
calc w=3D1/[\s^2^(Fo^2^)+(0.0712P)^2^+0.0000P] where P=3D(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0895
_refine_ls_wR_factor_ref         0.0909
_reflns_number_gt                4540
_reflns_number_total             5002
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b300971h.txt
_cod_data_source_block           g1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/adriana/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        1751.4(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7204604