Information card for entry 4303456

Structure parameters

• Common name: [Pt3(mu-PBut2)4(CO)2(ethynil-Fc)]
• Formula: C38 H63 Fe O2 P3 Pt3
• Calculated formula: C38 H63 Fe O2 P3 Pt3
• SMILES: [Pt]123([Pt]([P]2(C(C)(C)C)C(C)(C)C)([P]([Pt]1([P]3(C(C)(C)C)C(C)(C)C)C#[O])(C(C)(C)C)C(C)(C)C)C#[O])C#C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Experimental and TDDFT Characterization of the Light-Induced Cluster-to-Iron Charge Transfer in the (Ferrocenylethynyl)-Substituted Trinuclear Platinum Derivative [Pt3(μ-PBut2)3(CO)2(C\τbC-Fc)]+
• Authors of publication: Fabrizia Fabrizi de Biani; Gabriele Manca; Lorella Marchetti; Piero Leoni; Samantha Bruzzone; Carla Guidotti; Andrea Atrei; Alberto Albinati; Silvia Rizzato
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10126 - 10137
• a: 11.98 ± 0.004 Å
• b: 15.807 ± 0.005 Å
• c: 24.04 ± 0.008 Å
• α: 73.148 ± 0.007°
• β: 88.767 ± 0.008°
• γ: 88.162 ± 0.007°
• Cell volume: 4354 ± 2 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: 0.1404
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No