Information card for entry 2202298

Structure parameters

• Chemical name: Dipotassium di-μ-hydroxo-bis[(nitrilotriacetato-κ^4^N,O,O',O'')chromium(III)] hexahydrate
• Formula: C12 H26 Cr2 K2 N2 O20
• Calculated formula: C12 H26 Cr2 K2 N2 O20
• SMILES: [K+].C1C(=O)O[Cr]234([N]1(CC(=O)O2)CC(=O)O4)[OH][Cr]124([N](CC(=O)O1)(CC(=O)O2)CC(=O)O4)[OH]3.O.O.[K+].O.O.O.O
• Title of publication: Dipotassium di-μ-hydroxo-bis[(nitrilotriacetato-κ^4^<i>N,O,O</i>',<i>O</i>'')chromium(III)] hexahydrate
• Authors of publication: Choi, Jong-Ha; Suzuki, Takayoshi; Kaizaki, Sumio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m812 - m813
• a: 7.311 ± 0.002 Å
• b: 13.321 ± 0.002 Å
• c: 12.862 ± 0.002 Å
• α: 90°
• β: 94.45 ± 0.02°
• γ: 90°
• Cell volume: 1248.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes