Information card for entry 7709067

Structure parameters

• Chemical name: (1,1,2,2,2,3-hexacarbonyl)-(1-?5-cyclopentadienyl)-?3-[1,2-?1,?1,3-?2-(phenyl)ethenylidene]-(tri-ethyl phosphite-3κP)–rhenium–iron–platinum(Fe–Re, Fe–Pt)
• Formula: C25 H26 Fe O9 P Pt Re
• Calculated formula: C25 H26 Fe O9 P Pt Re
• SMILES: [Pt]12(C#[O])([Fe]3([Re]4567([C]13=[CH]2c1ccccc1)(C#[O])(C#[O])[cH]1[cH]4[cH]5[c]6[cH]71)(C#[O])(C#[O])C#[O])[P](OCC)(OCC)OCC
• Title of publication: Trinuclear ReFePt clusters with a μ₃-phenylvinylidene ligand: synthetic approaches, rearrangement of vinylidene, and redox-induced transformations.
• Authors of publication: Verpekin, Victor V.; Chudin, Oleg S.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Shor, Aleksey M.; Burmakina, Galina V.; Zimonin, Dmitry V.; Maksimov, Nikolai G.; Rubaylo, Anatoly I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 324 - 339
• a: 9.4887 ± 0.0003 Å
• b: 9.8037 ± 0.0003 Å
• c: 16.3209 ± 0.0005 Å
• α: 84.437 ± 0.001°
• β: 83.024 ± 0.001°
• γ: 74.776 ± 0.001°
• Cell volume: 1450.76 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No