Compounds with the Electron-Rich [W6Cl18]2- Cluster Anion
Sonja Tragl; Markus Ströbele; Jochen Glaser; Cristian Vicent; Rosa Llusar; H.-Jürgen Meyer; Inorganic Chemistry 48 (2009) 3825–3831; doi:10.1021/ic8019843

data_4301938
_publ_contact_author
;
        H.-Juergen Meyer
        Institut fuer Anorganische Chemie
        Universitaet Tuebingen
        Ob dem Himmelreich 7
        72074 Tuebingen
        Bundesrepublik Deutschland
;
_publ_contact_author_email       juergen.meyer@uni-tuebingen.de
_publ_contact_author_fax         '07071 29-5702'
_publ_contact_author_phone       '07071 29-76226'
_publ_section_title
;
Compounds with the Electron-Rich [W6Cl18]2- Cluster Anion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3825
_journal_page_last               3831
_journal_paper_doi               10.1021/ic8019843
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         Rb2W6Cl18
_chemical_formula_structural     Rb2[W6Cl18]
_chemical_formula_sum            'Cl18 Rb2 W6'
_chemical_name_systematic        ' dirubidium hexatungsten octadecachloride'
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            1
_cell_length_a                   9.2409487(6)
_cell_length_b                   9.2409487(6)
_cell_length_c                   8.5197163(7)
_cell_measurement_temperature    298(2)
_cell_volume                     630.07012(8)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298(2)
_diffrn_detector                 PSD
_diffrn_measurement_device_type  'Stoe STADI-P'
_diffrn_radiation_monochromator  Ge
_diffrn_radiation_type           X-ray
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Cu
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.010000
_pd_meas_2theta_range_max        129.99001
_pd_meas_2theta_range_min        5.00000
_pd_meas_number_of_points        12500
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.010000
_pd_proc_2theta_range_max        129.9900
_pd_proc_2theta_range_min        5.0000
_pd_proc_ls_background_function  polynom
_pd_proc_ls_pref_orient_corr     ' March'
_pd_proc_ls_profile_function     pseudo-voigt
_pd_proc_ls_prof_R_factor        10.6842
_pd_proc_ls_prof_wR_expected     11.4932
_pd_proc_ls_prof_wR_factor       14.2316
_pd_proc_wavelength              1.540598
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     34
_refine_ls_number_reflns         738
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            8.1421
_cod_data_source_file            ic8019843_si_001_6.cif
_cod_data_source_block           Rb2W6Cl18
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' according
to '/home/saulius/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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        630.07(2)
_cod_original_formula_sum        Rb2W6Cl18
_cod_database_code               4301938
_pd_proc_ls_prof_cr_factor       21.8112
_pd_proc_ls_prof_cwr_factor      23.5173
_pd_proc_ls_prof_cwr_expected    18.9923
_pd_proc_ls_prof_chi2            1.5333
_pd_proc_ls_prof_echi2           1.3674