Information card for entry 2239479

Structure parameters

• Chemical name: Bis(2,6-dimethylanilinium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II)
• Formula: C16 H32 Co N2 O16 P4
• Calculated formula: C16 H32 Co N2 O16 P4
• SMILES: c1(c(cccc1C)C)[NH3+].O1P(=O)(O)OP(=O)(O[Co]21([OH2])(OP(=O)(O)OP(=O)(O2)O)[OH2])O.c1(c(cccc1C)C)[NH3+]
• Title of publication: Bis(2,6-dimethylanilinium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II)
• Authors of publication: Saad, Ahlem Ben; Selmi, Ahmed; Rzaigui, Mohamed; Akriche, Samah Toumi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: m86 - m87
• a: 7.32 ± 0.003 Å
• b: 7.584 ± 0.004 Å
• c: 13.413 ± 0.002 Å
• α: 85.35 ± 0.03°
• β: 75.56 ± 0.02°
• γ: 74.42 ± 0.05°
• Cell volume: 694.5 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0761
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes