Information card for entry 7215864

Structure parameters

• Formula: C64 H53 F12 Fe N12 O2.5 P2
• Calculated formula: C64 H48 F12 Fe N12 O2.5 P2
• Title of publication: Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies
• Authors of publication: Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 28
• Pages of publication: 6476
• a: 13.964 ± 0.002 Å
• b: 14.768 ± 0.002 Å
• c: 31.254 ± 0.004 Å
• α: 90°
• β: 102.32 ± 0.009°
• γ: 90°
• Cell volume: 6296.8 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1074
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No