Information card for entry 8107649

Structure parameters

• Common name: Crystal structure of tricarbonyl-chlorido-(N-(pyridin-2-yl)-N-((4-tert- butyl)benzoyl)pyridine-2-amine)rhenium(I)
• Formula: C24 H21 Cl N3 O4 Re
• Calculated formula: C24 H21 Cl N3 O4 Re
• SMILES: [Re]1(Cl)([n]2c(N(C(=O)c3ccc(C(C)(C)C)cc3)c3[n]1cccc3)cccc2)(C#[O])(C#[O])C#[O]
• Title of publication: Crystal structure of tricarbonyl-chlorido-(N-(pyridin-2-yl)-N-((4-tertbutyl) benzoyl)pyridine-2-amine)rhenium(I), C24H21ClN3O4Re
• Authors of publication: Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2015
• Journal volume: 230
• Journal issue: 1
• Pages of publication: 44 - 46
• a: 22.178 ± 0.001 Å
• b: 12.4411 ± 0.0005 Å
• c: 17.1519 ± 0.0007 Å
• α: 90°
• β: 90.27 ± 0.002°
• γ: 90°
• Cell volume: 4732.5 ± 0.3 ų
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0376
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No