Information card for entry 7008521

Structure parameters

• Chemical name: L-serinato 3-methylpyridine tricarbonyl rhenium(I)
• Formula: C12 H13 N2 O6 Re
• Calculated formula: C12 H12.5 N2 O6 Re
• SMILES: [Re]1([NH2][C@H](C(=O)O1)CO)([n]1cc(ccc1)C)(C#[O])(C#[O])C#[O]
• Title of publication: Structure, reactivity and solution behaviour of [Re(ser)(7-MeG)(CO)(3)] and [Re(ser)(3-pic)(CO)(3)]: "nucleoside-mimicking" complexes based on the fac-[Re(CO)(3)](+) moiety.
• Authors of publication: Zobi, Fabio; Spingler, Bernhard; Alberto, Roger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 17
• Pages of publication: 2859 - 2865
• a: 6.2005 ± 0.0003 Å
• b: 26.1517 ± 0.0017 Å
• c: 8.7539 ± 0.0005 Å
• α: 90°
• β: 92.112 ± 0.007°
• γ: 90°
• Cell volume: 1418.51 ± 0.14 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1218
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2665
• Weighted residual factors for all reflections included in the refinement: 0.3019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No