Information card for entry 7215863

Structure parameters

• Formula: C36 H30 N6 O4 Zn
• Calculated formula: C36 H30 N6 O4 Zn
• SMILES: [Zn]12(OC(=O)C)(OC(=O)C)[n]3ccccc3c3[n]1c(cc(c3)c1ccc(cc1)CN(c1ncccc1)c1ncccc1)c1[n]2cccc1
• 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: 13.7825 ± 0.0009 Å
• b: 14.8655 ± 0.001 Å
• c: 18.2258 ± 0.0011 Å
• α: 70.21 ± 0.002°
• β: 79.959 ± 0.003°
• γ: 64.388 ± 0.003°
• Cell volume: 3166.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No