Information card for entry 4083939

Structure parameters

• Formula: C64 H43 Fe2 O6 P Pt Ru2
• Calculated formula: C64 H43 Fe2 O6 P Pt Ru2
• SMILES: [Pt]1234([Ru]567([Ru]81(C#[O])(C#[O])(C#[O])[C]5(=[C]6(C#Cc1ccccc1)[C]7(=[C]38[C]4=C(c1ccccc1)c1ccccc1)[c]13[cH]4[Fe]56789%101([cH]4[cH]5[cH]36)[cH]1[cH]7[cH]8[cH]9[cH]%101)[c]13[cH]4[Fe]56789%101([cH]3[cH]5[cH]46)[cH]1[cH]7[cH]8[cH]9[cH]%101)([P]2(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: 11.5193 ± 0.0004 Å
• b: 14.294 ± 0.0006 Å
• c: 19.6261 ± 0.0005 Å
• α: 102.376 ± 0.003°
• β: 106.919 ± 0.003°
• γ: 104.675 ± 0.003°
• Cell volume: 2842.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No