Information card for entry 7010629

Structure parameters

• Formula: C17 H11 N2 O4 Re
• Calculated formula: C17 H11 N2 O4 Re
• SMILES: [Re]1([n]2cccc3cccc(c23)O1)([n]1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Monomeric and dimeric Re(i)(tricarbonyl)(8-quinolinato) complexes
• Authors of publication: Czerwieniec, Rafał; Kapturkiewicz, Andrzej; Anulewicz-Ostrowska, Romana; Nowacki, Jacek
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2756 - 2761
• a: 7.089 ± 0.001 Å
• b: 9.418 ± 0.002 Å
• c: 12.493 ± 0.002 Å
• α: 87.77 ± 0.03°
• β: 82.66 ± 0.03°
• γ: 75.22 ± 0.03°
• Cell volume: 799.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.0595
• Goodness-of-fit parameter for all reflections: 1.152
• Goodness-of-fit parameter for significantly intense reflections: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No