An unexpected rhenium(IV)-rhenium(VII) salt: [Co(NH<sub>3</sub>)<sub>6</sub>]<sub>3</sub>[Re<sup>VII</sup>O<sub>4</sub>][Re<sup>IV</sup>F<sub>6</sub>]<sub>4</sub>·6H<sub>2</sub>O.
Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Hagenbach, Adelheid; Poineau, Frederic; Acta crystallographica. Section E, Crystallographic communications 75 (2019) 1158–1161; doi:10.1107/S2056989019009757

data_2311597
_publ_section_title
;
 An unexpected rhenium(IV)-rhenium(VII) salt:
 [Co(NH<sub>3</sub>)<sub>6</sub>]<sub>3</sub>[Re<sup>VII</sup>O<sub>4</sub>][Re<sup>IV</sup>F<sub>6</sub>]<sub>4</sub>&#x00B7;6H<sub>2</sub>O.
;
_journal_coeditor_code           HB7830
_journal_issue                   'Pt 8'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1158
_journal_page_last               1161
_journal_paper_doi               10.1107/S2056989019009757
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Co (N H3)6]3 [Re O4] [Re F6]4, 6H2 O'
_chemical_formula_moiety
'3(Co H18 N6 2+), 4(F6 Re 2-), O4 Re-, 6(H2 O)'
_chemical_formula_sum            'Co3 F24 H54 N18 O10 Re5'
_chemical_formula_weight         2030.40
_chemical_name_common            '[Co(NH3)6][ReF6]'
_chemical_name_systematic
;
Tris[hexaamminecobalt(III)] tetraoxidorhenate(VII)
tetrakis[hexafluoridorhenate(IV)] hexahydrate
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   15.982(3)
_cell_length_b                   15.982(3)
_cell_length_c                   29.740(5)
_cell_measurement_reflns_used    618
_cell_measurement_temperature    293.(2)
_cell_measurement_theta_max      31.9638
_cell_measurement_theta_min      3.2180
_cell_volume                     6579(2)
_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
_computing_data_collection
;
APEX3 (Bruker, 2015)
;
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
<i>shelXle</i> (H\"ubschle <i>et al.</i>,  2011)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      293.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       ' '\f and \w scans'
_diffrn_radiation_monochromator  'curved graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0818
_diffrn_reflns_av_unetI/netI     0.0511
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            45169
_diffrn_reflns_theta_full        26.83
_diffrn_reflns_theta_max         26.83
_diffrn_reflns_theta_min         1.62
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    15.001
_exptl_absorpt_correction_T_max  0.43
_exptl_absorpt_correction_T_min  0.02
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
(Krause <i>et al.</i>,  2015)
;
_exptl_crystal_colour            'translucent orange'
_exptl_crystal_density_diffrn    3.075
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular box'
_exptl_crystal_F_000             5592
_exptl_crystal_size_max          0.630
_exptl_crystal_size_mid          0.076
_exptl_crystal_size_min          0.068
_refine_diff_density_max         2.357
_refine_diff_density_min         -4.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     189
_refine_ls_number_reflns         5223
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0392
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0476P)^2^+166.9724P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1122
_refine_ls_wR_factor_ref         0.1144
_reflns_number_gt                4885
_reflns_number_total             5223
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7830sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        6579.(2)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               2311597
_shelx_hkl_checksum              67118
_shelx_res_checksum              16101