Information card for entry 2103301

Structure parameters

• Chemical name: [(3-bromopyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-methylpyridine) cobaloxime]
• Formula: C16.55 H23.64 Br0.45 Co N6 O4
• Calculated formula: C16.546 H23.638 Br0.454 Co N6 O4
• Title of publication: Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes
• Authors of publication: Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: 227 - 232
• a: 23.82 ± 0.02 Å
• b: 9.52 ± 0.01 Å
• c: 8.822 ± 0.005 Å
• α: 90°
• β: 94.73 ± 0.06°
• γ: 90°
• Cell volume: 1994 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No