Information card for entry 4309058

Structure parameters

• Formula: C36 H42 Cl N2 O4 P2 Re
• Calculated formula: C36 H33 Cl N2 O4 P2 Re
• SMILES: [Re]123([P](CC[NH]3CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(OCCO2)=Nc1ccccc1.[Cl-].O.O
• Title of publication: New Approach to the Chemistry of Technetium(V) and Rhenium(V) Phenylimido Complexes: Novel [M(NPh)PNP]3+ Metal Fragments (M = Tc, Re; PNP = Aminodiphosphine) Suitable for the Synthesis of Stable Mixed-Ligand Compounds
• Authors of publication: Marina Porchia; Francesco Tisato; Fiorenzo Refosco; Cristina Bolzati; Mario Cavazza-Ceccato; Giuliano Bandoli; Alessandro Dolmella
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4766 - 4776
• a: 12.733 ± 0.003 Å
• b: 17.032 ± 0.003 Å
• c: 18.806 ± 0.004 Å
• α: 107.01 ± 0.03°
• β: 90.85 ± 0.03°
• γ: 98.11 ± 0.03°
• Cell volume: 3854.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No