Information card for entry 4104941

Structure parameters

• Formula: C3 H5 Cl N O2 Rh
• Calculated formula: C3 H5 Cl N O2 Rh
• SMILES: C[NH2][Rh](C#[O])(C#[O])Cl
• Title of publication: One-Dimensional Organometallic Molecular Wires via Assembly of Rh(CO)2Cl(amine): Chemical Control of Interchain Distances and Optical Properties
• Authors of publication: Kwonho Jang; Il Gu Jung; Hye Jin Nam; Duk-Young Jung; Seung Uk Son
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12046 - 12047
• a: 6.7979 ± 0.0005 Å
• b: 8.0996 ± 0.0007 Å
• c: 26.069 ± 0.002 Å
• α: 90°
• β: 96.837 ± 0.004°
• γ: 90°
• Cell volume: 1425.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No