Information card for entry 2008875

Structure parameters

• Chemical name: [Co{α-Me‒sal~2~‒(S,S)‒bn}(py)~2~}]BF~4~, 1.5-water
• Formula: C30 H35 B Co F4 N4 O3.5
• Calculated formula: C30 H34.49 B Co F4 N4 O3.245
• Title of publication: Polymorphs of [(2<i>S</i>,3<i>S</i>)-α-Me-<i>N</i>,<i>N</i>'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate
• Authors of publication: Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1466 - 1470
• a: 10.422 ± 0.006 Å
• b: 10.422 ± 0.006 Å
• c: 101.433 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9541 ± 8 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 7
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.892
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No