Information card for entry 2103485

Structure parameters

• Chemical name: [(2-cyanoethyl)(3-ethylpyridine)cobaloxime] [(2-cyanopropyl)(3-methylpyridine)cobaloxime]
• Formula: C18 H21 Co N6 O4
• Calculated formula: C18 H21 Co N6 O4
• Title of publication: Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement
• 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: 6
• Pages of publication: 986 - 997
• a: 11.7299 ± 0.0004 Å
• b: 9.2358 ± 0.0003 Å
• c: 19.8561 ± 0.0006 Å
• α: 90°
• β: 91.082 ± 0.001°
• γ: 90°
• Cell volume: 2150.73 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No