Information card for entry 4077662

Structure parameters

• Chemical name: tricarbonyl-(eta$6!-p-cymene)-bis-(mu!2$-pyrazolyl-N,N')- rhodium(i)-osmium(ii) tetraphenylborate
• Formula: C43 H40 B N4 O3 Os Rh
• Calculated formula: C43 H40 B N4 O3 Os Rh
• SMILES: [Os]123456(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)C#[O].[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.7378 ± 0.0008 Å
• b: 11.2371 ± 0.0011 Å
• c: 18.8008 ± 0.0014 Å
• α: 73.716 ± 0.006°
• β: 83.814 ± 0.006°
• γ: 78.431 ± 0.007°
• Cell volume: 1931.7 ± 0.3 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 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: 0.056
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No