Information card for entry 2216720

Structure parameters

• Chemical name: (Acetylacetonato)aqua(2,2',2''-terpyridine)chromium(III) bis(perchlorate) dihydrate hexamethylphosphoramide solvate
• Formula: C26 H42 Cl2 Cr N6 O14 P
• Calculated formula: C26 H42 Cl2 Cr N6 O14 P
• SMILES: [Cr]123(OC(=CC(=[O]1)C)C)([n]1c(c4[n]2cccc4)cccc1c1[n]3cccc1)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].P(=O)(N(C)C)(N(C)C)N(C)C.O.O
• Title of publication: (Acetylacetonato)aqua(2,2',2''-terpyridine)chromium(III) bis(perchlorate) dihydrate hexamethylphosphoramide solvate
• Authors of publication: Cloete, Nicoline; Visser, Hendrik G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3069 - m3070
• a: 13.2524 ± 0.0004 Å
• b: 13.5607 ± 0.0004 Å
• c: 19.7271 ± 0.0006 Å
• α: 90°
• β: 95.588 ± 0.001°
• γ: 90°
• Cell volume: 3528.35 ± 0.18 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No