Information card for entry 7014695

Structure parameters

• Formula: C21 H33 Br4 Cl3 Cu6 N4 S8
• Calculated formula: C21 H32 Br4 Cl3 Cu6 N4 S8
• Title of publication: Crystal structure and carrier transport properties of a new 3D mixed-valence Cu(i)-Cu(ii) coordination polymer including pyrrolidine dithiocarbamate ligand.
• Authors of publication: Okubo, Takashi; Tanaka, Naoya; Kim, Kyung Ho; Anma, Haruho; Seki, Shu; Saeki, Akinori; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2218 - 2224
• a: 15.6452 ± 0.0005 Å
• b: 15.6452 ± 0.0005 Å
• c: 15.9953 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3915.2 ± 0.2 ų
• Cell temperature: 100.1 K
• Ambient diffraction temperature: 100.1 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No