Information card for entry 4311966

Structure parameters

• Chemical name: catena-[1-(mu!2$alphaketoglutarato-O,O')-4-methylthiosemicarbazoneaqua] copper(II) dihydrate
• Formula: C7 H15 Cu N3 O7 S
• Calculated formula: C7 H11 Cu N3 O7 S
• Title of publication: Copper(II) Complexes with Substituted Thiosemicarbazones of α-Ketoglutaric Acid: Synthesis, X-ray Structures, DNA Binding Studies, and Nuclease and Biological Activity
• Authors of publication: Monica Baldini; Marisa Belicchi-Ferrari; Franco Bisceglie; Pier Paolo Dall'Aglio; Giorgio Pelosi; Silvana Pinelli; Pieralberto Tarasconi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7170 - 7179
• a: 8.993 ± 0.002 Å
• b: 9.749 ± 0.003 Å
• c: 8.919 ± 0.003 Å
• α: 111 ± 0.02°
• β: 118.68 ± 0.02°
• γ: 71.49 ± 0.02°
• Cell volume: 630.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.412
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No