Information card for entry 4312384

Structure parameters

• Formula: C60 H47 N5 O Os
• Calculated formula: C60 H46 N5 O Os
• SMILES: [Os]123(=O)(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccc(cc1)C)cc2)c1ccc(cc1)C)cc3)c1ccc(cc1)C)cc6)c1ccc(cc1)C)N(c1ccccc1)c1ccccc1
• Title of publication: Reactivity of Dioxoosmium(VI) Porphyrins toward Arylhydrazine. Isolation of Hydrazidoosmium and Amidoosmium Porphyrins
• Authors of publication: Sarana Ka-Yan Leung; Jie-Sheng Huang; Nianyong Zhu; Chi-Ming Che
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7266 - 7272
• a: 15.836 ± 0.003 Å
• b: 23.88 ± 0.005 Å
• c: 14.72 ± 0.003 Å
• α: 90°
• β: 111.2 ± 0.03°
• γ: 90°
• Cell volume: 5190 ± 2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No