Information card for entry 4314533

Structure parameters

• Formula: C53 H48 B Co F4 N P4
• Calculated formula: C53 H48 B Co F4 N P4
• SMILES: [Co]12([P](c3ccccc3)(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)([P](c1ccccc1)(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)C#N.[B](F)(F)(F)[F-]
• Title of publication: Cyanide Lability and Linkage Isomerism of Hexacyanochromate(III) Induced by the Co(II) Ion
• Authors of publication: Carolina Avendano; Ferdi Karadas; Matthew Hilfiger; Michael Shatruk; Kim R. Dunbar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 583 - 594
• a: 12.5722 ± 0.0016 Å
• b: 25.59 ± 0.003 Å
• c: 14.6694 ± 0.0019 Å
• α: 90°
• β: 106.029 ± 0.002°
• γ: 90°
• Cell volume: 4536 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No