Information card for entry 2202929

Structure parameters

• Chemical name: Aqua(η^4^‒1,5-cyclooctadiene)[1-(2-methoxyethoxymethyl)- 3,5-dimethylpyrazole]rhodium(I) tetrafluoroborate
• Formula: C17 H30 B F4 N2 O3 Rh
• Calculated formula: C17 H30 B F4 N2 O3 Rh
• SMILES: c1(cc(C)[n](n1COCCOC)[Rh]123([OH2])[CH]4=[CH]1CC[CH]2=[CH]3CC4)C.[B](F)(F)(F)[F-]
• Title of publication: Aqua(η^4^-1,5-cyclooctadiene)[1-(2-methoxyethoxymethyl)-3,5-dimethylpyrazole]rhodium(I) tetrafluoroborate
• Authors of publication: Boixassa, Anna; Mathieu, Rene; Lugan, Noël; Pons, Josefina; Ros, Josep
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m658 - m660
• a: 10.0023 ± 0.001 Å
• b: 23.2203 ± 0.0017 Å
• c: 9.2977 ± 0.001 Å
• α: 90°
• β: 102.368 ± 0.012°
• γ: 90°
• Cell volume: 2109.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes