Information card for entry 4344428

Structure parameters

• Formula: C65.5 H52 Cl5 F6 N6 O2 Os P
• Calculated formula: C63 H47 F6 N6 O2 Os P
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Os]56(c7c(c8cccc[n]58)cc(cc7c5cccc[n]65)c5ccc(cc5)c5ccc(cc5)c5ccc(cc5)N(c5ccc(cc5)OC)c5ccc(cc5)OC)([n]12)[n]34.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cyclometalated Osmium-Amine Electronic Communication through the p-Oligophenylene Wire.
• Authors of publication: Shen, Jun-Jian; Shao, Jiang-Yang; Gong, Zhong-Liang; Zhong, Yu-Wu
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10776 - 10784
• a: 52.13 ± 0.018 Å
• b: 8.757 ± 0.002 Å
• c: 26.681 ± 0.009 Å
• α: 90°
• β: 93.943 ± 0.004°
• γ: 90°
• Cell volume: 12151 ± 6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 8
• 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: 0.104
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No