Information card for entry 4083935

Structure parameters

• Formula: C46 H28 Fe2 O6 Ru2
• Calculated formula: C46 H28 Fe2 O6 Ru2
• SMILES: [Ru]1234([Ru]5(C#[O])(C#[O])(C#[O])[C]1(=[C]2(C#Cc1ccccc1)[C]4(=[C]35[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)C#Cc1ccccc1)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of Novel Allene-Coordinated, Phosphido-Bridged Ru2Pt Clusters Involving Enyne to Allene Transformation
• Authors of publication: Mathur, Pradeep; Rai, Dhirendra K.; Joshi, Raj K.; Jha, Badrinath; Mobin, Shaikh M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3857
• a: 17.737 ± 0.004 Å
• b: 13.2614 ± 0.0013 Å
• c: 33.972 ± 0.004 Å
• α: 90°
• β: 90.876 ± 0.015°
• γ: 90°
• Cell volume: 7990 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1285
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No