Information card for entry 2011738

Structure parameters

• Chemical name: aqua(η^2^-allylammonium)bis(sulfamato-N)copper(I)
• Formula: C3 H14 Cu N3 O7 S2
• Calculated formula: C3 H14 Cu N3 O7 S2
• SMILES: [Cu]1([OH2])([NH2]S(=O)(=O)[O-])([NH2]S(=O)(=O)[O-])[CH2]=[CH]1C[NH3+]
• Title of publication: (η^2^-Allylammonium)aquabis(sulfamato-<i>N</i>)copper(I)
• Authors of publication: Melnyk, Oksana P.; Schollmeyer, Dieter; Olijnyk, Volodymyr V.; Filinchuk, Yaroslav E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 151 - 153
• a: 13.5437 ± 0.0005 Å
• b: 8.8923 ± 0.0001 Å
• c: 9.7121 ± 0.0004 Å
• α: 90°
• β: 103.593 ± 0.002°
• γ: 90°
• Cell volume: 1136.91 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No