Information card for entry 2009212

Structure parameters

• Chemical name: Copper(II) hydrogenphthalate dihydrate
• Formula: C16 H14 Cu O10
• Calculated formula: C16 H14 Cu O10
• Title of publication: Diaquabis(hydrogen phthalato)copper(II), a new phase
• Authors of publication: Rodrigues, Bernardo Lages; Costa, Marcia D. D.; Fernandes, Nelson G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 1997 - 2000
• a: 13.177 ± 0.002 Å
• b: 5.111 ± 0.001 Å
• c: 12.972 ± 0.002 Å
• α: 90°
• β: 116.63 ± 0.01°
• γ: 90°
• Cell volume: 781 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.035
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No