Information card for entry 7032173

Structure parameters

• Formula: C29 H31 F9 Fe P4
• Calculated formula: C29 H31 F9 Fe P4
• Title of publication: Aspects of the coordination chemistry of rac-trans-1,2-diphosphinocyclohexane and the preparation of reinforced 9aneP3 and 9anePN2 macrocycles.
• Authors of publication: Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Tallis, Huw A.; Williams, Craig
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15532 - 15545
• a: 13.021 ± 0.0001 Å
• b: 15.257 ± 0.0002 Å
• c: 30.559 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6070.89 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No