Information card for entry 4320313

Structure parameters

• Common name: [Re(CO)3(k3-PN2)]x2MeOH
• Chemical name: Rhenium(I)-(k3PN2)tricarbonyl
• Formula: C26 H28 N2 O6 P Re
• Calculated formula: C26 H28 N2 O6 P Re
• SMILES: [Re]12([P](c3ccccc3C(=O)N2CC[NH2]1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].OC.OC
• Title of publication: Re Tricarbonyl Complexes with Ligands Containing P,N,N and P,N,O Donor Atom Sets: Synthesis and Structural Characterization
• Authors of publication: João D. G. Correia; Ângela Domingos; Isabel Santos; Roger Alberto; Kirstin Ortner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5147 - 5151
• a: 10.1237 ± 0.0008 Å
• b: 9.4959 ± 0.0004 Å
• c: 28.365 ± 0.002 Å
• α: 90°
• β: 98.707 ± 0.009°
• γ: 90°
• Cell volume: 2695.4 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No