Information card for entry 7003257

Structure parameters

• Formula: C160 H130 F48 Fe4 N32 O9 P8
• Calculated formula: C160 H130 F48 Fe4 N32 O9 P8
• 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: 15.7521 ± 0.0006 Å
• b: 16.1814 ± 0.0006 Å
• c: 17.3664 ± 0.0006 Å
• α: 94.145 ± 0.002°
• β: 99.444 ± 0.002°
• γ: 109.469 ± 0.0016°
• Cell volume: 4078.3 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections: 0.1214
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No