Information card for entry 1562658

Structure parameters

• Formula: C16 H16 Cu2 O12
• Calculated formula: C16 H16 Cu2 O12
• SMILES: [Cu](OC(c1ccc(C(=O)[O-])cc1)=O)([OH2])([O]=C(c1ccc(C(=O)[O-])cc1)O[Cu]([OH2])[OH2])[OH2]
• Title of publication: Synthesis, crystal structure, and magnetic properties of bis(aqua)[μ-(terepthalato-κo,κo′)]copper(II)monohydrate [Cu(C8O4)(OH2)2]·H2O
• Authors of publication: Nfor, Emmanuel N.; Majoumo-Mbe, Felicite; Ndifon, Peter T.; Duke, Emmanuel O.; Mainsah, Evans N.; Offiong, Offiong E.; Eno, Ededet A.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 201
• Pages of publication: 133 - 136
• a: 6.296 ± 0.0002 Å
• b: 6.8703 ± 0.0002 Å
• c: 22.9826 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 994.12 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P n c a
• Hall space group symbol: -P 2a 2n
• Residual factor for all reflections: 0.159
• Residual factor for significantly intense reflections: 0.1464
• Weighted residual factors for significantly intense reflections: 0.4624
• Weighted residual factors for all reflections included in the refinement: 0.4784
• Goodness-of-fit parameter for all reflections included in the refinement: 2.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No