Information card for entry 7012739

Structure parameters

• Formula: C10 H23 Cl2 Cu N O9 S3
• Calculated formula: C10 H23 Cl2 Cu N O9 S3
• Title of publication: Chelate ring sequence effects on thermodynamic, kinetic and electron-transfer properties of copper(ii/i) systems involving macrocyclic ligands with S4 and NS3 donor setsElectronic supplementary information (ESI) available: Tables S1‒14: tabulations of experimental rate constants. See http://www.rsc.org/suppdata/dt/b3/b300602f/
• Authors of publication: Galijasevic, Semira; Krylova, Ksenia; Koenigbauer, Michael J.; Jaeger, Gregory S.; Bushendorf, Jeffery D.; Heeg, Mary Jane; Ochrymowycz, Leo A.; Taschner, Michael J.; Rorabacher, David B.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1577
• a: 13.7324 ± 0.0008 Å
• b: 10.0394 ± 0.0005 Å
• c: 14.6404 ± 0.0008 Å
• α: 90°
• β: 95.122 ± 0.001°
• γ: 90°
• Cell volume: 2010.34 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No