Information card for entry 7038004

Structure parameters

• Formula: C24 H24 N2 O12 Ru2
• Calculated formula: C24 H24 N2 O12 Ru2
• SMILES: [Ru]12([Ru]([O]=C(O1)c1ccccc1)(OC(=[O]2)c1ccccc1)([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: 11.2781 ± 0.0012 Å
• b: 15.2544 ± 0.0015 Å
• c: 19.7636 ± 0.0016 Å
• α: 90°
• β: 124.796 ± 0.004°
• γ: 90°
• Cell volume: 2792.2 ± 0.5 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: 0.0471
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No