Information card for entry 7040827

Structure parameters

• Common name: Copper(II)-bis(phenylphosphonate)_Monohydrate
• Mineral name: CuPhP2
• Formula: C12 H14 Cu O7 P2
• Calculated formula: C12 H14 Cu O7 P2
• 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: 31.6115 ± 0.0003 Å
• b: 6.0867 ± 0.00006 Å
• c: 7.62568 ± 0.00007 Å
• α: 90°
• β: 97.5312 ± 0.001°
• γ: 90°
• Cell volume: 1454.6 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor R(I) for significantly intense reflections: 6.62
• Goodness-of-fit parameter for all reflections: 2.98
• 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