Information card for entry 4083936

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]1(=[C]3(C#Cc1ccccc1)[C]5(=[C]24c1ccccc1)C#C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7C61)[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: 18.2974 ± 0.0003 Å
• b: 9.4719 ± 0.0001 Å
• c: 23.728 ± 0.0004 Å
• α: 90°
• β: 108.98 ± 0.002°
• γ: 90°
• Cell volume: 3888.75 ± 0.11 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: 0.0301
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No