Information card for entry 4030915

Structure parameters

• Formula: C24 H20 Cu N4 O7 S2
• Calculated formula: C24 H20 Cu N4 O7 S2
• SMILES: [Cu](N1S(=O)(=O)c2ccccc2C1=O)(N1S(=O)(=O)c2ccccc2C1=O)([n]1ccccc1)([n]1ccccc1)[OH2]
• Title of publication: Structural study of monoaquabis(pyridine)bis(saccharinato)copper(II), [Cu(H~2~O)(py)~2~(sac)~2~]
• Authors of publication: Jovanovski, G.; Naumov, P.; Grupče, O.; Kaitner, B.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 35
• Journal issue: 3
• Pages of publication: 231 - 242
• a: 9.4874 ± 0.0007 Å
• b: 21.545 ± 0.001 Å
• c: 13.164 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2690.8 ± 0.3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No