Information card for entry 4083941

Structure parameters

• Formula: C63 H43 Fe2 O5 P Ru2
• Calculated formula: C63 H43 Fe2 O5 P Ru2
• SMILES: [Ru]12([Ru]345([P](c6ccccc6)(c6ccccc6)c6ccccc6)(C#[O])(C#[O])[C]1(=[C]3([C]4(=[C]25[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#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: 11.6865 ± 0.0004 Å
• b: 14.5617 ± 0.0005 Å
• c: 16.8171 ± 0.0005 Å
• α: 95.208 ± 0.002°
• β: 103.323 ± 0.003°
• γ: 111.082 ± 0.003°
• Cell volume: 2550.46 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No