Information card for entry 4070843

Structure parameters

• Formula: C55 H83 B N2 Os P2
• Calculated formula: C55 H83 B N2 Os P2
• SMILES: [OsH5]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)c1c[n+](cn1C)c1c(C)cc(C)cc1C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Abnormal and Normal N-Heterocyclic Carbene Osmium Polyhydride Complexes Obtained by Direct Metalation of Imidazolium Salts
• Authors of publication: Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Puerta, Marta
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 445
• a: 13.467 ± 0.003 Å
• b: 13.713 ± 0.003 Å
• c: 14.322 ± 0.003 Å
• α: 90°
• β: 101.286 ± 0.003°
• γ: 90°
• Cell volume: 2593.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No