Information card for entry 7004177

Structure parameters

• Common name: catena-(aqua(muu5-benzene-1,2,3-tricarboxylato- kappaO:kappaO':kappaO'':kappaO''':kappaO'''',O''''')(muu- hydroxo)dicopper(ii))
• Chemical name: catena-[aqua(μu5-benzene-1,2,3-tricarboxylato- κO:κO':κO'':κO''':κO'''',O''''')(μu-hydroxo)dicopper(II)]
• Formula: C9 H6 Cu2 O8
• Calculated formula: C9 H6 Cu2 O8
• Title of publication: 2∞[Cu2(μ5-btb)(μ-OH)(μ-H2O)]: a two-dimensional coordination polymer built from ferromagnetically coupled Cu2 units (btb = benzene-1,2,3-tricarboxylate)
• Authors of publication: Habib, Hesham A.; Sanchiz, Joaquin; Janiak, Christoph
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4877 - 4884
• a: 5.682 ± 0.0001 Å
• b: 27.2143 ± 0.0006 Å
• c: 6.726 ± 0.0002 Å
• α: 90°
• β: 107.618 ± 0.001°
• γ: 90°
• Cell volume: 991.27 ± 0.04 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No