The Trigonal Prismatic Cluster Compound W6CCl15 and a Carambolage of Tungsten Clusters in the Structure of the Heteroleptic Cluster Compound W30C2(Cl,Br)68
Markus Ströbele; H.-Jürgen Meyer; Inorganic Chemistry 49 (2010) 5986–5991; doi:10.1021/ic100516t

data_4315922
_publ_contact_author_address
;Institut f\"ur Anorganische Chemie
Ob dem Himmelreich 7
72074 T\"ubingen
Bundesrepublik Deutschland
;
_publ_contact_author_email       juergen.meyer@uni-tuebingen.de
_publ_contact_author_fax         '07071 29-5702'
_publ_contact_author_name        'H.-J\"urgen Meyer'
_publ_contact_author_phone       '07071 29-76226'
_publ_section_title
;
 The Trigonal Prismatic Cluster Compound W6CCl15 and a Carambolage of
 Tungsten Clusters in the Structure of the Heteroleptic Cluster Compound
 W30C2(Cl,Br)68
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5986
_journal_page_last               5991
_journal_paper_doi               10.1021/ic100516t
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'W6 C1 Cl15'
_chemical_formula_sum            'C Cl15 W6'
_chemical_formula_weight         1646.906
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 107.883(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   9.8830(4)
_cell_length_b                   11.8945(4)
_cell_length_c                   17.8670(7)
_cell_measurement_temperature    293
_cell_volume                     1998.85(13)
_computing_data_collection       WinXPow
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54060
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.020000
_pd_meas_2theta_range_max        109.98000
_pd_meas_2theta_range_min        7.00000
_pd_meas_number_of_points        5150
_pd_proc_2theta_range_inc        0.020000
_pd_proc_2theta_range_max        109.9800
_pd_proc_2theta_range_min        7.0000
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        9.9128
_pd_proc_ls_prof_wR_expected     4.6577
_pd_proc_ls_prof_wR_factor       15.2908
_pd_proc_wavelength              1.540598
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   3.266
_refine_ls_number_parameters     86
_refine_ls_number_reflns         2616
_refine_ls_number_restraints     32
_refine_ls_R_I_factor            7.3555
_refine_ls_shift/su_max          0.000
_cod_data_source_file            ic100516t_si_001_1.cif
_cod_data_source_block           added_by_encifer
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1998.9(1)
_cod_original_formula_sum        'C1 Cl15 W6'
_cod_database_code               4315922