Information card for entry 7200736

Structure parameters

• Formula: C7 H7 Ni O6 P
• Calculated formula: C7 H7 Ni O6 P
• Title of publication: [M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior
• Authors of publication: Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1255
• a: 8.95 ± 0.003 Å
• b: 8.558 ± 0.003 Å
• c: 22.461 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1720.4 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No