Information card for entry 4082053

Structure parameters

• Formula: C33 H27 Cl3 N4 O3 Rh2
• Calculated formula: C33 H27 Cl3 N4 O3 Rh2
• SMILES: [Rh]12([Cl][Rh]([OH]1)(=C1N3c4ccccc4N1Cc1ccc(CN4C=2N(c2ccccc42)Cc2ccc(cc2)C3)cc1)C#[O])C#[O].ClCCl
• Title of publication: Coordination Singularities of a Bis(p-xylyl)bis(benzimidazolylidene) Ligand and the Bis-iridium and -rhodium-Related Complexes
• Authors of publication: Ruiz-Botella, Sheila; Guisado-Barrios, Gregorio; Mata, José A.; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6613
• a: 9.3896 ± 0.0002 Å
• b: 9.56605 ± 0.00018 Å
• c: 19.5108 ± 0.0003 Å
• α: 87.0246 ± 0.0014°
• β: 89.5385 ± 0.0016°
• γ: 61.383 ± 0.002°
• Cell volume: 1536.05 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No