Information card for entry 7028031

Structure parameters

• Formula: C47 H45 N3 O1.5 P2 Re
• Calculated formula: C47 H39 N3 O1.5 P2 Re
• SMILES: [Re]123([P](c4c(N2CCCN3c2c([P]1(c1ccccc1)c1ccccc1)cccc2)cccc4)(c1ccccc1)c1ccccc1)(OCC)=Nc1ccccc1.O
• 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: 11.307 ± 0.004 Å
• b: 13.333 ± 0.006 Å
• c: 27.743 ± 0.011 Å
• α: 88.64 ± 0.03°
• β: 80.65 ± 0.03°
• γ: 79.48 ± 0.03°
• Cell volume: 4057 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1642
• Weighted residual factors for significantly intense reflections: 0.1452
• Goodness-of-fit parameter for all reflections: 1.321
• Goodness-of-fit parameter for significantly intense reflections: 1.304
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No