Information card for entry 4321498

Structure parameters

• Formula: C32.5 H48 B Br Co F6 Fe N14 O7.5 P
• Calculated formula: C32.5 H46 B Br Co F6 Fe N14 O7.5 P
• Title of publication: Synthesis of a Clathrochelate Complex with an Appended Pyridine and Its Coordination to a Cobaloxime Complex
• Authors of publication: Chaiwat Engtrakul; William J. Shoemaker; Joseph J. Grzybowski; Ilia Guzei; Arnold Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5161 - 5163
• a: 9.1044 ± 0.0002 Å
• b: 14.7918 ± 0.0002 Å
• c: 17.7688 ± 0.0002 Å
• α: 84.5085 ± 0.0002°
• β: 76.488 ± 0.0002°
• γ: 81.7951 ± 0.0002°
• Cell volume: 2298.04 ± 0.06 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections: 0.2025
• Weighted residual factors for significantly intense reflections: 0.1782
• Goodness-of-fit parameter for all reflections: 0.928
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No