Information card for entry 4076817

Structure parameters

• Formula: C20 H9 N3 O10 Os3
• Calculated formula: C20 H9 N3 O10 Os3
• SMILES: [Os]123([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])(N(c1[n]2cccc1)c1ncccc1)(C#[O])(C#[O])(C#[O])[H]3)(C#[O])(C#[O])C#[O]
• Title of publication: Triruthenium and Triosmium Carbonyl Cluster Complexes Containing Deprotonated Di(2-pyridyl)amine in Unusual Coordination Modes
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Riera, Víctor; Suárez, Marta
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2540
• a: 15.595 ± 0.008 Å
• b: 25.075 ± 0.005 Å
• c: 12.795 ± 0.011 Å
• α: 90°
• β: 99.81 ± 0.06°
• γ: 90°
• Cell volume: 4930 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No