Information card for entry 7004924

Structure parameters

• Formula: C5 H4 Cl N O5 Ru
• Calculated formula: C5 H4 Cl N O5 Ru
• SMILES: [Ru]1(Cl)([NH2]CC(=O)O1)(C#[O])(C#[O])C#[O]
• Title of publication: Metal carbonyls as pharmaceuticals? [Ru(CO)3Cl(glycinate)], a CO-releasing molecule with an extensive aqueous solution chemistry.
• Authors of publication: Johnson, Tony R.; Mann, Brian E.; Teasdale, Ian P.; Adams, Harry; Foresti, Roberta; Green, Colin J.; Motterlini, Roberto
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1500 - 1508
• a: 8.2186 ± 0.0009 Å
• b: 9.9407 ± 0.001 Å
• c: 10.7834 ± 0.0011 Å
• α: 90°
• β: 98.985 ± 0.002°
• γ: 90°
• Cell volume: 870.18 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No