Information card for entry 4067606

Structure parameters

• Formula: C38 H62 N2 Os P2
• Calculated formula: C38 H62 N2 Os P2
• SMILES: [OsH2]12([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]3c(c4c1cc(C)cc4)c(C)c(nc3c1c2cc(C)cc1)C
• 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: 10.724 ± 0.003 Å
• b: 11.504 ± 0.003 Å
• c: 15.107 ± 0.004 Å
• α: 88.454 ± 0.004°
• β: 77.692 ± 0.004°
• γ: 82.541 ± 0.005°
• Cell volume: 1805.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No