Information card for entry 4066535

Structure parameters

• Formula: C26 H22
• Calculated formula: C26 H22
• SMILES: C1(=C(C(=C(C1=Cc1c2ccc3c4c2c(cc1)ccc4ccc3)C)C)C)C
• Title of publication: Substituted Cyclopentadienyl Osmium Complexes from the Reactions of OsH3Cl(PPh3)3with Fulvenes and Cyclopentadienes
• Authors of publication: Tse, Sunny Kai San; Bai, Wei; Sung, Herman Ho-Yung; Williams, Ian Duncan; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 16
• Pages of publication: 3571
• a: 29.3956 ± 0.0009 Å
• b: 6.5728 ± 0.0002 Å
• c: 9.5187 ± 0.0003 Å
• α: 90°
• β: 99.019 ± 0.002°
• γ: 90°
• Cell volume: 1816.38 ± 0.1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 2
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No