Information card for entry 4067608

Structure parameters

• Formula: C64 H115 N3 O Os2 P4
• Calculated formula: C64 H115 N3 O Os2 P4
• SMILES: [OsH2]12([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]3c4[n]5[OsH2]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(c6c4c1cc(C)c6)c1c(c5nc3c3c2cc(C)cc3)ccc(c1)C.O(CC)CC
• 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: 10.6776 ± 0.0002 Å
• b: 15.1579 ± 0.0004 Å
• c: 21.7645 ± 0.0003 Å
• α: 108.752 ± 0.002°
• β: 97.142 ± 0.001°
• γ: 92.741 ± 0.002°
• Cell volume: 3295.24 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No