Information card for entry 7008519

Structure parameters

• Chemical name: L-serinato 7-methylguanine tricarbonyl rhenium(I)
• Formula: C25 H30 N12 O15 Re2
• Calculated formula: C25 H30 N12 O15 Re2
• SMILES: [Re]1(C#[O])(C#[O])(C#[O])([NH2][C@H](C(=O)O1)CO)[n]1c2c(c(=O)[nH]c(N)n2)n(C)c1.CO
• 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: 10.0312 ± 0.0005 Å
• b: 14.1639 ± 0.0005 Å
• c: 24.9026 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3538.2 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No