Information card for entry 4309340

Structure parameters

• Formula: C60 H46 N8 Os2
• Calculated formula: C60 H46 N8 Os2
• SMILES: [Os]1234([Os](N(c5[n]1cccc5)c1ccccc1)(N(c1[n]2cccc1)c1ccccc1)([n]1c(N3c2ccccc2)cccc1)([n]1c(N4c2ccccc2)cccc1)C#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Diosmium(III) Compounds Supported by 2-Anilinopyridinate and Novel Alkynyl Derivatives
• Authors of publication: Yan-Hui Shi; Wei-Zhong Chen; Kevin D. John; Ryan E. Da Re; Joshua L. Cohn; Guo-Lin Xu; Judith L. Eglin; Alfred P. Sattelberger; Curtis R. Hare; Tong Ren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5719 - 5727
• a: 14.5896 ± 0.0016 Å
• b: 16.749 ± 0.0015 Å
• c: 20.599 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5033.6 ± 1 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No