Information card for entry 7023533

Structure parameters

• Formula: C7 H5 Cu O5 P
• Calculated formula: C7 H5 Cu O5 P
• Title of publication: A distorted honeycomb motif in divalent transition metal compounds based on 4-phosphonbenzoic acid and exchange coupled Co(ii) and Cu(ii): synthesis, structural description and magnetic properties.
• Authors of publication: Pütz, Anna-Maria; Carrella, Luca M.; Rentschler, Eva
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16194 - 16199
• a: 5.2031 ± 0.0017 Å
• b: 8.122 ± 0.003 Å
• c: 19.378 ± 0.003 Å
• α: 90°
• β: 100.604 ± 0.009°
• γ: 90°
• Cell volume: 804.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No