Information card for entry 4329813

Structure parameters

• Formula: C40 H40 Cu2 N28 O20.01 Se8
• Calculated formula: C40 H40 Cu2 N28.005 O20.013 Se8
• Title of publication: Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions
• Authors of publication: Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8128 - 8140
• a: 11.4192 ± 0.0003 Å
• b: 14.1808 ± 0.0005 Å
• c: 20.665 ± 0.0006 Å
• α: 79.063 ± 0.003°
• β: 74.977 ± 0.002°
• γ: 86.968 ± 0.002°
• Cell volume: 3173.25 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1575
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.2686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No