Information card for entry 2005986

Structure parameters

• Chemical name: 4,4'-Dimethylbipyridine-bis(6-chloro-2-pyridonato)zinc hydrate
• Formula: C22 H20 Cl2 N4 O3 Zn
• Calculated formula: C22 H20 Cl2 N4 O3 Zn
• SMILES: [Zn]123(Oc4[n]2c(Cl)ccc4)(Oc2[n]3c(Cl)ccc2)[n]2ccc(cc2c2[n]1ccc(c2)C)C.O
• Title of publication: Bis(6-chloro-2-pyridonato-<i>N</i>,<i>O</i>)(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')zinc(II) Hydrate at 150 K
• Authors of publication: Mowat, C. G.; Parsons, S.; Solan, G. A.; Winpenny, R. E. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 282 - 283
• a: 8.995 ± 0.006 Å
• b: 9.748 ± 0.007 Å
• c: 14.655 ± 0.011 Å
• α: 97.39 ± 0.05°
• β: 99.85 ± 0.05°
• γ: 113.16 ± 0.03°
• Cell volume: 1136.5 ± 1.5 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.0962
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No