Information card for entry 7212143

Structure parameters

• Formula: C12 H22 Cr2 K4 O24
• Calculated formula: C12 H10 Cr2 K4 O24
• SMILES: C1(CC(=O)O[Cr]23(O1)(OC(=O)CC(=O)O2)[OH][Cr]12(OC(CC(=O)O1)=O)(OC(=O)CC(=O)O2)[OH]3)=O.[K+].[K+].[K+].O.O.O.[K+].O.O.O
• Title of publication: Building-block process for the synthesis of new chromium(iii) malonate complexes
• Authors of publication: Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2711
• a: 8.2948 ± 0.0007 Å
• b: 9.4737 ± 0.001 Å
• c: 9.7296 ± 0.0008 Å
• α: 102.028 ± 0.006°
• β: 100.085 ± 0.006°
• γ: 106.708 ± 0.006°
• Cell volume: 693.31 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No