Information card for entry 4083933

Structure parameters

• Formula: C46 H28 Fe2 O6 Ru2
• Calculated formula: C46 H28 Fe2 O6 Ru2
• SMILES: [Ru]12([Ru]345(C#[O])(C#[O])(C#[O])[C](=[C]13C#Cc1ccccc1)([C]5(=[C]24[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[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: 12.978 ± 0.003 Å
• b: 18.798 ± 0.009 Å
• c: 15.313 ± 0.004 Å
• α: 90°
• β: 98.71 ± 0.02°
• γ: 90°
• Cell volume: 3693 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0415
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No