Information card for entry 4077661

Structure parameters

• Chemical name: chloro-dicarbonyl-(eta$6!-p-cymene)-bis-(mu!2$-pyrazolyl-N,N')- rhodium(i)-osmium(ii)
• Formula: C18 H20 Cl N4 O2 Os Rh
• Calculated formula: C18 H20 Cl N4 O2 Os Rh
• SMILES: [Os]123456(Cl)(n7[n]([Rh]([n]8n1ccc8)(C#[O])C#[O])ccc7)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
• Title of publication: Synthesis, Characterization, and Theoretical Studies on Heterobinuclear (p-cymene)Os(μ-pz)2M (M = Ir, Rh; Hpz = Pyrazole) Complexes
• Authors of publication: Carmona, Daniel; Ferrer, Joaquina; Arilla, José M.; Reyes, Josefa; Lahoz, Fernando J.; Elipe, Sergio; Modrego, F. Javier; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 798
• a: 11.9551 ± 0.0011 Å
• b: 14.0018 ± 0.0013 Å
• c: 12.4844 ± 0.0012 Å
• α: 90°
• β: 99.183 ± 0.008°
• γ: 90°
• Cell volume: 2063 ± 0.3 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No