Information card for entry 7022414

Structure parameters

• Formula: C72 H120 N2 Os2 P4
• Calculated formula: C72 H120 N2 Os2 P4
• SMILES: [n]12c(cc(c3cc4[n](cc3)[OsH3](c3c4cccc3)([P](C(C)C)(C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C)cc1)c1c([OsH3]2([P](C(C)C)(C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C)cccc1.c1c(C)cccc1.c1ccccc1C
• Title of publication: Mono- and dinuclear osmium N,N'-di- and tetraphenylbipyridyls and extended bipyridyls. Synthesis, structure and electrochemistry.
• Authors of publication: Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Martín-Ortíz, Mamen; Molina, Pedro; Oliván, Montserrat; Otón, Francisco; Sierra, Miguel A.; Valencia, Marta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 3597 - 3608
• a: 17.258 ± 0.004 Å
• b: 8.775 ± 0.002 Å
• c: 23.919 ± 0.006 Å
• α: 90°
• β: 103.864 ± 0.005°
• γ: 90°
• Cell volume: 3516.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No