Information card for entry 4083934

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#C[c]13[cH]6[Fe]789%10%11%121([cH]3[cH]7[cH]68)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)[C]4(=[C]25C#C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)c1ccccc1)c1ccccc1)(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: 18.0763 ± 0.0004 Å
• b: 7.3167 ± 0.0002 Å
• c: 28.2952 ± 0.0006 Å
• α: 90°
• β: 92.099 ± 0.002°
• γ: 90°
• Cell volume: 3739.78 ± 0.15 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: 0.0483
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No