Information card for entry 4073927

Structure parameters

• Formula: C32 H28 N2 O11 Os4
• Calculated formula: C32 H28 N2 O11 Os4
• SMILES: [Os]12([H][Os]3([Os]([H][Os]2([H]3)(C#[O])(C#[O])C#[O])([H]1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Normal and Abnormal NHC Coordination in [Os4(μ-H)4(CO)11(IMes)] and Exhaustive Dehydrogenation of an IMes Methyl Group
• Authors of publication: Cooke, Craig E.; Jennings, Michael C.; Pomeroy, Roland K.; Clyburne, Jason A. C.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6059
• a: 27.9147 ± 0.0005 Å
• b: 16.5133 ± 0.0003 Å
• c: 15.2219 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7016.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No