Information card for entry 4328501

Structure parameters

• Formula: C37 H39 Br4 N6 Se2
• Calculated formula: C37 H39 Br4 N6 Se2
• Title of publication: Reactions of Diiminopyridine Ligands with Chalcogen Halides
• Authors of publication: Caleb D. Martin; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2947 - 2953
• a: 11.95 ± 0.002 Å
• b: 14.476 ± 0.003 Å
• c: 26.043 ± 0.008 Å
• α: 90°
• β: 103.39 ± 0.03°
• γ: 90°
• Cell volume: 4382.7 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2599
• Weighted residual factors for all reflections included in the refinement: 0.2812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No