Information card for entry 4077663

Structure parameters

• Chemical name: iodo-dicarbonyl-(eta$6!-p-cymene)-bis-(mu!2$-pyrazolyl-N,N')- iridium(i)-osmium(ii)
• Formula: C18 H20 I Ir N4 O2 Os
• Calculated formula: C18 H20 I Ir N4 O2 Os
• SMILES: [Os]1234567([Ir](I)([n]8n1ccc8)([n]1n2ccc1)(C#[O])C#[O])[c]1([cH]3[cH]4[c]5([cH]6[cH]71)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: 9.5321 ± 0.0011 Å
• b: 12.7061 ± 0.0015 Å
• c: 17.966 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2176 ± 0.4 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No