Information card for entry 4073936

Structure parameters

• Formula: C30 H46 Br Cl2 N6 Os P
• Calculated formula: C30 H46 Br Cl2 N6 Os P
• SMILES: [OsH]12([P](C(C)C)(C(C)C)C(C)C)([n]3c(CN4C=1N(C=C4)C)cccc3)[n]1c(CN3C=2N(C=C3)C)cccc1.[Br-].ClCCl
• Title of publication: Influence of the Anion of the Salt Used on the Coordination Mode of an N-Heterocyclic Carbene Ligand to Osmium
• Authors of publication: Baya, Miguel; Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 26
• Pages of publication: 6556
• a: 8.664 ± 0.003 Å
• b: 11.597 ± 0.004 Å
• c: 16.999 ± 0.005 Å
• α: 89.303 ± 0.005°
• β: 86.032 ± 0.006°
• γ: 86.22 ± 0.006°
• Cell volume: 1700.1 ± 1 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No