Experimental and Theoretical Studies of Bis(perfluorovinyl)mercury, Hg(CF=CF2)2: Synthesis, Characterization, and Structure in the Gaseous and Crystalline Phases
Kulbinder K. Banger; Alan K. Brisdon; Paul T. Brain; Simon Parsons; David W. H. Rankin; Heather E. Robertson; Bruce A. Smart; Michael Bühl; Inorganic Chemistry 38 (1999) 5894–5900; doi:10.1021/ic991018h

data_4322527
_publ_section_title
;
 Experimental and Theoretical Studies of Bis(perfluorovinyl)mercury,
 Hg(CF=CF2)2: Synthesis, Characterization, and Structure in the Gaseous
 and Crystalline Phases
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5894
_journal_page_last               5900
_journal_paper_doi               10.1021/ic991018h
_journal_volume                  38
_journal_year                    1999
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C4 Hg F6 '
_chemical_formula_sum            'C4 F6 Hg'
_chemical_formula_weight         362.62
_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_primary     inspection
_audit_creation_date             96-11-02
_audit_creation_method           CRYSTALS
_cell_angle_alpha                104.57(5)
_cell_angle_beta                 109.32(6)
_cell_angle_gamma                107.16(6)
_cell_formula_units_Z            1.00
_cell_length_a                   4.956(4)
_cell_length_b                   5.733(4)
_cell_length_c                   6.394(4)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    110
_cell_measurement_theta_max      21
_cell_measurement_theta_min      7
_cell_volume                     151.0(2)
_computing_cell_refinement       'Stoe DIF4'
_computing_data_collection       'Stoe DIF4 (Stoe and Cie, 1990a)'
_computing_data_reduction        'Stoe REDU4 (Stoe and Cie, 1990b)'
_computing_molecular_graphics
;
 CAMERON (Watkin, Prout & Pearce,  1996)
;
_computing_publication_material
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_refinement
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1992)'
_diffrn_ambient_temperature      110
_diffrn_measurement_device       'Stoe Stadi-4 diffractometer'
_diffrn_measurement_method       omega-2theta
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.05
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3656
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.50
_diffrn_standards_decay_%        2.70
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    25.53
_exptl_crystal_colour            ' colourless '
_exptl_crystal_density_diffrn    3.99
_exptl_crystal_description       ' cylinder '
_exptl_crystal_F_000             154.96
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.67
_refine_diff_density_min         -2.40
_refine_ls_extinction_coef       0.8(6)
_refine_ls_extinction_method
'Larson 1970 Crystallographic Computing eq 22'
_refine_ls_goodness_of_fit_obs   1.1220
_refine_ls_matrix_type           full
_refine_ls_number_parameters     53
_refine_ls_number_reflns         914
_refine_ls_R_factor_obs          0.0241
_refine_ls_shift/esd_max         0.014979
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 Chebychev polynomial (Carruthers & Watkin, 1979)
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0261
_reflns_limit_h_max              6
_reflns_limit_h_min              -6
_reflns_limit_k_max              7
_reflns_limit_k_min              -8
_reflns_limit_l_max              9
_reflns_limit_l_min              0
_reflns_number_observed          914
_reflns_number_total             914
_reflns_observed_criterion       >2.00sigma(I)
_cod_data_source_file            ic991018h.cif
_cod_data_source_block           c2f3hg
_cod_original_cell_volume        151.03
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        ' C4 Hg F6 '
_cod_database_code               4322527