Information card for entry 2014128

Structure parameters

• Chemical name: Carbonyl(5-nitrotropolonato-κ^2^O^1^,O^2^)(triphenylphosphine-κP)rhodium(I)
• Formula: C26 H19 N O5 P Rh
• Calculated formula: C26 H19 N O5 P Rh
• SMILES: [Rh]1(OC2C(=[O]1)C=CC(=CC=2)N(=O)=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Carbonyl(5-nitrotropolonato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(triphenylphosphine-κ<i>P</i>)rhodium(I)
• Authors of publication: Steyl, Gideon; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m324 - m326
• a: 9.3078 ± 0.0019 Å
• b: 10.329 ± 0.002 Å
• c: 12.898 ± 0.003 Å
• α: 93.51 ± 0.03°
• β: 105.33 ± 0.03°
• γ: 100.75 ± 0.03°
• Cell volume: 1166.9 ± 0.5 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: 0.095
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes