Information card for entry 4077545

Structure parameters

• Formula: C42 H32 Cl2 Fe2 O9 Os3 Pt
• Calculated formula: C42 H30 Cl2 Fe2 O9 Os3 Pt
• SMILES: [Pt]123456([Os]78([Os]91([Os]17([C]29(C#C[c]27[cH]9[Fe]%10%11%12%13%14%152([cH]7[cH]%10[cH]9%11)[cH]2[cH]%12[cH]%13[cH]%14[cH]%152)[C]381[c]12[cH]3[Fe]789%10%11%121([cH]3[cH]7[cH]28)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[CH]1CC[CH]4=[CH]5CC[CH]6=1.ClCCl
• Title of publication: New Triosmium Complexes Containing a Partially Hydrogenated Bis(ferrocenyl)butadiyne Ligand. Their Structures and Electrochemical Responses
• Authors of publication: Adams, Richard D.; Qu, Bo
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 20
• Pages of publication: 4090
• a: 11.359 ± 0.002 Å
• b: 18.684 ± 0.005 Å
• c: 10.826 ± 0.002 Å
• α: 96.41 ± 0.02°
• β: 107.87 ± 0.02°
• γ: 81.71 ± 0.03°
• Cell volume: 2158.4 ± 0.8 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: 0.0391
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections: 1.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No