Information card for entry 4333106

Structure parameters

• Chemical name: cis-dicarbonylchloro[3,5-bis(3,4,5-trimethoxyphenyl)pyrazole]rhodium(I)
• Formula: C24 H26 Cl3 N2 O8 Rh
• Calculated formula: C24 H26 Cl3 N2 O8 Rh
• SMILES: [Rh](Cl)([n]1[nH]c(cc1c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1)(C#[O])C#[O].ClCCl
• Title of publication: Supramolecular Structures and Columnar Mesophase Induction in Nondiscoid Pyrazoles by Complexation to Rhodium(I)
• Authors of publication: Giménez, Raquel; Elduque, Anabel; López, José Antonio; Barberá, Joaquín; Cavero, Emma; Lantero, Ignacio; Oro, Luis A.; Serrano, José Luis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10363 - 10370
• a: 14.6971 ± 0.0014 Å
• b: 14.2494 ± 0.0014 Å
• c: 27.234 ± 0.002 Å
• α: 90°
• β: 94.254 ± 0.003°
• γ: 90°
• Cell volume: 5687.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No