Information card for entry 7003259

Structure parameters

• Formula: C44 H34 F12 Fe N10 P2
• Calculated formula: C44 H34 F12 Fe N10 P2
• Title of publication: Vectorial property dependence in bis{4′-(n-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) and ruthenium(ii) complexes with n = 2, 3 and 4
• Authors of publication: Beves, Jonathon E.; Dunphy, Emma L.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 386
• a: 8.7704 ± 0.0002 Å
• b: 8.7704 ± 0.0002 Å
• c: 56.5252 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4347.91 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9421
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No