Information card for entry 4315927

Structure parameters

• Formula: C69 H42 N6 O33 Pt15 Ru
• Calculated formula: C69 H42 N6 O33 Pt15 Ru
• SMILES: C1(=O)[Pt]23(C#[O])C(=O)[Pt]43(C(=O)[Pt]124C#[O])C#[O].C(#[O])[Pt]1234C(=O)[Pt]563(C#[O])C(=O)[Pt]45(C#[O])(C2=O)[Pt]2345(C(=O)[Pt]7812(C#[O])[Pt]129%10(C#[O])C(=O)[Pt]%11%1259(C#[O])C(=O)[Pt]2%11(C#[O])(C1=O)([Pt]648(C#[O])(C7=O)C3=O)[Pt]123(C#[O])C(=O)[Pt]4%102(C#[O])C(=O)[Pt]%1234(C#[O])C1=O)C#[O].c12cccc[n]1[Ru]13([n]4ccccc4c4[n]3cccc4)([n]3ccccc23)[n]2ccccc2c2[n]1cccc2.CC(=O)C.CC(=O)C.CC(=O)C
• Title of publication: Self-Assembly of [Pt3n(CO)6n]2- (n= 4-8) Carbonyl Clusters: from Molecules to Conducting Molecular Metal Wires
• Authors of publication: Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Tatiana Lovato; Stefano Stagni; Stefano Zacchini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5992 - 6004
• a: 18.0804 ± 0.0009 Å
• b: 18.0804 ± 0.0009 Å
• c: 16.0241 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4536.5 ± 0.4 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No