A di-nuclear μ-oxido rhenium(VI) complex: from deep purple to catalytic applications.
Doliner, Tobias A.; Hartmann, Peter E.; Oberwinkler, Gernot; Belaj, Ferdinand; Dupé, Antoine; Boese, A. Daniel; Schachner, Jörg A; Dalton transactions (Cambridge, England : 2003) 55 (2026) 4547–4559; doi:10.1039/d6dt00039h

data_7720388
_publ_section_title
;
 A di-nuclear &#x3bc;-oxido rhenium(VI) complex: from deep purple to
 catalytic applications.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4547
_journal_page_last               4559
_journal_paper_doi               10.1039/d6dt00039h
_journal_volume                  55
_journal_year                    2026
_chemical_compound_source        'synthetical product'
_chemical_formula_moiety         'C19 H28 Cl2 N O4 Re'
_chemical_formula_sum            'C19 H28 Cl2 N O4 Re'
_chemical_formula_weight         591.52
_chemical_name_common
'[2,4-di(tert-butyl)-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pheno-lato-N,O]-dichloro-dioxo-rhenium(VII)'
_chemical_name_systematic
'[2,4-di(tert-butyl)-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pheno-lato-N,O]-dichloro-dioxo-rhenium(VII)'
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_audit_update_record
;
2019-05-03 deposited with the CCDC.	2026-02-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_volume                     2203.4(5)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'modified ORTEP (Johnson, 1965)'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.'
_exptl_crystal_colour            orange
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_exptl_crystal_description       needle
_exptl_crystal_F_000             1160
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_refine_diff_density_max         1.581
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_refine_diff_density_rms         0.224
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6410
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_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^)+(0.0688P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1151
_refine_ls_wR_factor_ref         0.1187
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5402
_reflns_number_total             6410
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           JSGO10B
_cod_depositor_comments
'Adding full bibliography for 7720387--7720392.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7720388
_shelx_estimated_absorpt_t_min   0.285
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_shelx_res_checksum              94825