Information card for entry 7028030

Structure parameters

• Formula: C42 H35 Cl N3 P2 Re
• Calculated formula: C42 Cl N3 P2 Re
• SMILES: [Re]12(Cl)([P](c3ccccc3[NH2]1)(c1ccccc1)c1ccccc1)([P](c1ccccc1[NH2]2)(c1ccccc1)c1ccccc1)=Nc1ccccc1
• Title of publication: Syntheses and structural characterizations of phenylimidorhenium(V) complexes containing bi- or tetra-dentate phosphinoamido ligands
• Authors of publication: Refosco, Fiorenzo; Bolzati, Cristina; Tisato, Francesco; Bandoli, Giuliano
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 6
• Pages of publication: 923
• a: 10.178 ± 0.004 Å
• b: 17.68 ± 0.006 Å
• c: 20.254 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3645 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.106
• Goodness-of-fit parameter for all reflections: 0.779
• Goodness-of-fit parameter for significantly intense reflections: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No