Information card for entry 4323699

Structure parameters

• Formula: C40 H47 Co N9 O10 S
• Calculated formula: C40 H47 Co N9 O10 S
• Title of publication: A Cobalt(II) Cryptate of a Heteroditopic Cryptand L as an Efficient Oxygenation Catalyst of Organic Substrates Using Molecular Oxygen and 2-Methylpropanal
• Authors of publication: Dillip K. Chand; Parimal K. Bharadwaj
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5658 - 5660
• a: 47.466 ± 0.003 Å
• b: 10.415 ± 0.002 Å
• c: 17.204 ± 0.004 Å
• α: 90°
• β: 93.84 ± 0.02°
• γ: 90°
• Cell volume: 8486 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for all reflections: 7.848
• Goodness-of-fit parameter for significantly intense reflections: 5.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No