Information card for entry 4333343

Structure parameters

• Common name: 05336m
• Formula: C10 H22 Cl Cu N2
• Calculated formula: C10 H22 Cl Cu N2
• SMILES: [Cu]1(Cl)[N]([C@H]2[C@H]([N]1(C)C)CCCC2)(C)C
• Title of publication: Structural Diversity in Copper−Sulfur Chemistry: Synthesis of Novel Cu/S Clusters through Metathesis Reactions
• Authors of publication: York, John T.; Bar-Nahum, Itsik; Tolman, William B.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 8105 - 8107
• a: 8.2309 ± 0.001 Å
• b: 10.8644 ± 0.0012 Å
• c: 14.0116 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1253 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No