Information card for entry 7101568

Structure parameters

• Common name: Hydroxocopper(ii) Sulfamate Complex with Pyridazino(4,5- d)pyridazine, Monohydrate
• Chemical name: Hydroxocopper(II) Sulfamate Complex with Pyridazino[4,5-d]pyridazine, Monohydrate
• Formula: C6 H9 Cu N5 O5 S
• Calculated formula: C6 H9 Cu N5 O5 S
• Title of publication: Metal-organic frameworks exhibiting strong anion-pi interactions
• Authors of publication: I.Gural'skiy; P.V.Solntsev; H.Krautscheid; K.V.Domasevitch
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 46
• a: 6.7875 ± 0.0007 Å
• b: 10.5615 ± 0.0009 Å
• c: 14.2118 ± 0.0011 Å
• α: 90°
• β: 97.567 ± 0.01°
• γ: 90°
• Cell volume: 1009.92 ± 0.16 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No