Information card for entry 4082830

Structure parameters

• Formula: C32 H56 N2 O2 Os P2
• Calculated formula: C32 H56 N2 O2 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]2ccccc2[C@H]2N1C(=O)[C@H]2Oc1ccccc1.[OsH3]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]2ccccc2[C@@H]2N1C(=O)[C@@H]2Oc1ccccc1
• Title of publication: Chelated Assisted Metal-Mediated N‒H Bond Activation of β-Lactams: Preparation of Irida-, Rhoda-, Osma-, and Ruthenatrinems
• Authors of publication: Casarrubios, Luis; Esteruelas, Miguel A.; Larramona, Carmen; Muntaner, Jaime G.; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1820
• a: 18.5861 ± 0.0008 Å
• b: 12.3352 ± 0.0005 Å
• c: 15.5389 ± 0.0007 Å
• α: 90°
• β: 108.213 ± 0.001°
• γ: 90°
• Cell volume: 3384 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0262
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No