Information card for entry 2238653

Structure parameters

• Chemical name: <i>m</i>-Xylylenediaminium diaquabis[dihydrogen diphosphato(2-)]cobaltate(II) dihydrate
• Formula: C8 H26 Co N2 O18 P4
• Calculated formula: C8 H26 Co N2 O18 P4
• SMILES: c1(cccc(c1)C[NH3+])C[NH3+].O1P(=O)(O)OP(=O)(O[Co]21([OH2])(OP(=O)(O)OP(=O)(O2)O)[OH2])O.O.O
• Title of publication: <i>m</i>-Xylylenediaminium diaquabis[dihydrogen diphosphato(2{-})]cobaltate(II) dihydrate
• Authors of publication: Elboulali, Adel; Akriche, Samah; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m545 - m546
• a: 11.933 ± 0.002 Å
• b: 9.132 ± 0.004 Å
• c: 21.441 ± 0.003 Å
• α: 90°
• β: 101.2 ± 0.02°
• γ: 90°
• Cell volume: 2292 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No