Information card for entry 4500884

Structure parameters

• Formula: C16 H9 Cu N7 O
• Calculated formula: C16 H9 Cu N7 O
• Title of publication: Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine
• Authors of publication: Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 3198
• a: 8.3767 ± 0.0012 Å
• b: 12.9906 ± 0.0018 Å
• c: 15.469 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1683.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0293
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No