Information card for entry 7013612

Structure parameters

• Common name: cis-Chlorobis(pentane-2,4-dionato)(4,4,5,5-tetramethyl-2-(3- pyridyl)imidazolin-1-oxyl 3-oxide)chromium(iii) Hemihydrate
• Chemical name: cis-Chlorobis(pentane-2,4-dionato)(4,4,5,5-tetramethyl-2-(3-pyridyl)imidazolin- 1-oxyl 3-oxide)chromium(III) Hemihydrate
• Formula: C22 H31 Cl Cr N3 O6.5
• Calculated formula: C22 H30 Cl Cr N3 O6.5
• Title of publication: Syntheses, structures, magnetic and spectroscopic properties of bis(pentane-2,4-dionato)chromium(iii) complexes incorporating 3- or 4-pyridyl-substituted nitronyl and imino nitroxides
• Authors of publication: Iino, Atsushi; Suzuki, Takayoshi; Kaizaki, Sumio
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4604
• a: 11.195 ± 0.002 Å
• b: 11.638 ± 0.003 Å
• c: 12.362 ± 0.002 Å
• α: 64.436 ± 0.014°
• β: 89.618 ± 0.017°
• γ: 67.315 ± 0.015°
• Cell volume: 1315.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1432
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No