Information card for entry 4306404

Structure parameters

• Formula: C10 H27 Cl Cu N4 O6 S2
• Calculated formula: C10 H27 Cl Cu N4 O6 S2
• Title of publication: Stabilization of Copper(II) Thiosulfonate Coordination Complexes Through Cooperative Hydrogen Bonding Interactions
• Authors of publication: Adam J. Fischmann; Craig M. Forsyth; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10565 - 10574
• a: 10.5593 ± 0.0008 Å
• b: 23.073 ± 0.0017 Å
• c: 16.1172 ± 0.0013 Å
• α: 90°
• β: 107.938 ± 0.002°
• γ: 90°
• Cell volume: 3735.8 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0941
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No