Information card for entry 7006392

Structure parameters

• Formula: C21 H42 B2 F8 Fe N3 P3
• Calculated formula: C21 H42 B2 F8 Fe N3 P3
• Title of publication: Iron complexes of facially capping triphosphorus macrocycles.
• Authors of publication: Edwards, Peter G.; Malik, K. M. Abdul; Ooi, Li-ling; Price, Andrew J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 3
• Pages of publication: 433 - 441
• a: 10.296 ± 0.002 Å
• b: 15.901 ± 0.003 Å
• c: 18.784 ± 0.004 Å
• α: 90°
• β: 92.23 ± 0.03°
• γ: 90°
• Cell volume: 3072.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0905
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No