Information card for entry 4309061

Structure parameters

• Formula: C36 H39 Cl2 N2 O P2 Re
• Calculated formula: C36 H39 Cl2 N2 O P2 Re
• SMILES: [Re]12(Cl)([P](CC[NH]2CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(OCC)=Nc1ccccc1.[Cl-]
• 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: 11.752 ± 0.002 Å
• b: 12.519 ± 0.003 Å
• c: 15.482 ± 0.003 Å
• α: 75.97 ± 0.03°
• β: 68.9 ± 0.03°
• γ: 64.96 ± 0.03°
• Cell volume: 1914.4 ± 0.9 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: 0.0577
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No