Information card for entry 2223749

Structure parameters

• Chemical name: Bis(2-methylanilinium) diaquabis[dihydrogendiphosphato(2-)]cobaltate(II)
• Formula: C14 H28 Co N2 O16 P4
• Calculated formula: C14 H28 Co N2 O16 P4
• SMILES: c1(c(C)cccc1)[NH3+].O1P(=O)(O)OP(=O)(O[Co]21([OH2])(OP(=O)(O)OP(=O)(O2)O)[OH2])O.c1(c(cccc1)C)[NH3+]
• Title of publication: Bis(2-methylanilinium) diaquabis[dihydrogendiphosphato(2{-})]cobaltate(II)
• Authors of publication: Selmi, Ahmed; Akriche, Samah; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1487
• a: 7.44 ± 0.004 Å
• b: 7.455 ± 0.002 Å
• c: 11.747 ± 0.003 Å
• α: 91.92 ± 0.03°
• β: 94.09 ± 0.05°
• γ: 104.67 ± 0.02°
• Cell volume: 627.8 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0363
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: Agkα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes