Information card for entry 7109227

Structure parameters

• Formula: C16 H28 Br3 Cu4 N2 S4
• Calculated formula: C16 H28 Br3 Cu4 N2 S4
• Title of publication: Crystal structure and carrier transport properties of a new semiconducting 2D coordination polymer with a 3,5-dimethylpiperidine dithiocarbamate ligand
• Authors of publication: Takashi Okubo; Haruho Anma; Naoya Tanaka; Kento Himoto; Shu Seki; Akinori Saeki; Masahiko Maekawa; Takayoshi Kuroda-Sowa
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4316
• a: 7.823 ± 0.004 Å
• b: 9.518 ± 0.005 Å
• c: 33.157 ± 0.016 Å
• α: 90°
• β: 98.469 ± 0.007°
• γ: 90°
• Cell volume: 2442 ± 2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No