Information card for entry 7040826

Structure parameters

• Common name: Copper Phenylphosphonate
• Chemical name: Copper Phenylphosphonate
• Formula: C6 H7 Cu O4 P
• Calculated formula: C6 H7 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: 13.9871 ± 0.0007 Å
• b: 7.6637 ± 0.0004 Å
• c: 7.4534 ± 0.0004 Å
• α: 90°
• β: 91.75 ± 0.002°
• γ: 90°
• Cell volume: 798.58 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No