Information card for entry 7038005

Structure parameters

• Formula: C26 H28 N2 O12 Ru2
• Calculated formula: C26 H28 N2 O12 Ru2
• SMILES: [Ru]12([Ru]([O]=C(O1)c1cc(ccc1)C)(OC(=[O]2)c1cc(ccc1)C)([NH2]CC(=O)OC)(C#[O])C#[O])([NH2]CC(=O)OC)(C#[O])C#[O]
• Title of publication: Photo-activated CO-releasing molecules (PhotoCORMs) of robust sawhorse scaffolds [μ(2)-OOCR(1), η(1)-NH2CHR(2)(C[double bond, length as m-dash]O] OCH3, Ru(i)2CO4].
• Authors of publication: Yang, Shuhong; Chen, Mengjiao; Zhou, Lingling; Zhang, Guofang; Gao, Ziwei; Zhang, Weiqiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3727 - 3733
• a: 11.6661 ± 0.0003 Å
• b: 15.7555 ± 0.0005 Å
• c: 19.8021 ± 0.0007 Å
• α: 90°
• β: 125.572 ± 0.002°
• γ: 90°
• Cell volume: 2960.5 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No