Information card for entry 4030421

Structure parameters

• Formula: C14 H20 Cu N2 O12 S2
• Calculated formula: C7 H10 Cu0.5 N O6 S
• Title of publication: The neutron crystal structure of the saccharinate complex [Cu(C7H4NO3S)2(H2O)4].2H2O
• Authors of publication: Cotton, F.A.; Falvello, L.R.; Murillo, C.A.; Schultz, A.J.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1992
• Journal volume: 29
• Pages of publication: 311 - 320
• a: 8.208 ± 0.002 Å
• b: 16.146 ± 0.004 Å
• c: 7.161 ± 0.002 Å
• α: 90°
• β: 101.19 ± 0.03°
• γ: 90°
• Cell volume: 931 ± 0.4 ų
• Ambient diffraction temperature: 15 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 significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.094
• Residual factor R(I) for significantly intense reflections: 0.083
• Goodness-of-fit parameter for all reflections: 1.101
• Diffraction radiation probe: neutron
• Diffraction radiation type: white
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No