Mixed-metal clusters with a {Re<sub>3</sub>Mo<sub>3</sub>Se<sub>8</sub>} core: from a polymeric solid to soluble species with multiple redox transitions.
Muravieva, Viktoria K.; Gayfulin, Yakov M.; Ryzhikov, Maxim R.; Novozhilov, Igor N.; Samsonenko, Denis G.; Piryazev, Dmitry A.; Yanshole, Vadim V.; Naumov, Nikolay G.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 3366–3377; doi:10.1039/c7dt03571c

data_7045366
_publ_section_title
;
 Mixed-metal clusters with a {Re<sub>3</sub>Mo<sub>3</sub>Se<sub>8</sub>}
 core: from a polymeric solid to soluble species with multiple redox
 transitions.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3366
_journal_page_last               3377
_journal_paper_doi               10.1039/c7dt03571c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C6 Cs5 Mo3 N6 O Re3 Se8'
_chemical_formula_weight         2314.77
_space_group_crystal_system      trigonal
_space_group_IT_number           165
_space_group_name_Hall           '-P 3 2"c'
_space_group_name_H-M_alt        'P -3 c 1'
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2017-06-23 deposited with the CCDC.
2018-01-24 downloaded from the CCDC.
;
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_cell_angle_beta                 90
_cell_angle_gamma                120
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_cell_length_c                   19.6531(5)
_cell_measurement_reflns_used    4290
_cell_measurement_temperature    130(2)
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_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
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_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2015)'
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_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2015)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.917
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
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_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.917
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_diffrn_source                   'sealed X-ray tube'
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_exptl_absorpt_correction_T_min  0.49254
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.588
_exptl_crystal_description       block
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.566
_refine_diff_density_min         -1.912
_refine_diff_density_rms         0.349
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         1448
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.292
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0159P)^2^+57.8200P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.0935
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1352
_reflns_number_total             1448
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c7dt03571c2.cif
_cod_data_source_block           mv246_cs
_cod_depositor_comments
'Adding full bibliography for 7045364--7045367.cif.'
_cod_original_cell_volume        1675.53(8)
_cod_database_code               7045366
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.084
_shelx_estimated_absorpt_t_max   0.096
_shelx_res_checksum              34110