Information card for entry 4309339

Structure parameters

• Formula: C44 H40 Cl2 N8 O2 Os2
• Calculated formula: C44 H36 Cl2 N8 O2 Os2
• SMILES: [Os]1234([Os](Cl)(N(c5[n]1cccc5)c1ccccc1)([n]1c(N2c2ccccc2)cccc1)(N(c1[n]3cccc1)c1ccccc1)N(c1[n]4cccc1)c1ccccc1)Cl.O.O
• 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: 17.3208 ± 0.0015 Å
• b: 13.1381 ± 0.0011 Å
• c: 19.2668 ± 0.0016 Å
• α: 90°
• β: 93.637 ± 0.002°
• γ: 90°
• Cell volume: 4375.6 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No