Information card for entry 4067605

Structure parameters

• Formula: C38 H64 N2 Os P2
• Calculated formula: C38 H64 N2 Os P2
• SMILES: [OsH3]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]2c(nc(c(c2C)C)c2ccc(cc2)C)c2c1cc(C)cc2
• Title of publication: Multiple C−H Bond Activation of Phenyl-Substituted Pyrimidines and Triazines Promoted by an Osmium Polyhydride: Formation of Osmapolycycles with Three, Five, and Eight Fused Rings
• Authors of publication: Esteruelas, Miguel A.; Fernández, Israel; Herrera, Antonio; Martín-Ortiz, Mamen; Martínez-Álvarez, Roberto; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.; Valencia, Marta
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 976
• a: 19.939 ± 0.006 Å
• b: 16.984 ± 0.005 Å
• c: 11.087 ± 0.003 Å
• α: 90°
• β: 93.605 ± 0.005°
• γ: 90°
• Cell volume: 3747.1 ± 1.9 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: 0.0538
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No