Information card for entry 7008533

Structure parameters

• Formula: C24 H21 Re S8
• Calculated formula: C24 H12 Re S8
• SMILES: [Re]123([S]=C(SS1)c1ccc(cc1)C)([S]=C(SS2)c1ccc(cc1)C)[S]=C(S3)c1ccc(cc1)C
• Title of publication: Syntheses and reactivity of 'sulfur rich' Re(iii) and Tc(iii) complexes containing trithioperoxybenzoate, dithiobenzoate and dithiocarbamate ligands.
• Authors of publication: Lepareur, Nicolas; Mévellec, Franck; Noiret, Nicolas; Refosco, Fiorenzo; Tisato, Francesco; Porchia, Marina; Bandoli, Giuliano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 17
• Pages of publication: 2866 - 2875
• a: 5.984 ± 0.0012 Å
• b: 12.106 ± 0.002 Å
• c: 20.618 ± 0.004 Å
• α: 101.61 ± 0.03°
• β: 92.87 ± 0.03°
• γ: 94.22 ± 0.03°
• Cell volume: 1455.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No