Information card for entry 7040825

Structure parameters

• Common name: Copper(II)-phenylphosphonate monohydrate
• Mineral name: alphaCuPhP
• Formula: C6 H7 Cu O4 P
• Calculated formula: C6 Cu O4 P
• Title of publication: The crystallisation of copper(ii) phenylphosphonates.
• Authors of publication: Wilke, Manuel; Kabelitz, Anke; Gorelik, Tatiana E.; Buzanich, Ana Guilherme; Reinholz, Uwe; Kolb, Ute; Rademann, Klaus; Emmerling, Franziska
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17453 - 17463
• a: 5.65908 ± 0.00015 Å
• b: 14.3406 ± 0.0005 Å
• c: 4.79644 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 389.25 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor R(I) for significantly intense reflections: 8.225
• Goodness-of-fit parameter for all reflections: 8.91
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No