Information card for entry 2204012

Structure parameters

• Chemical name: acetatobis(2,2'-bipyridil)znic(II) hexafluorphosphate monohydrate
• Formula: C22 H21 F6 N4 O3 P Zn
• Calculated formula: C22 H21 F6 N4 O3 P Zn
• SMILES: O.[Zn]123([n]4c(c5[n]1cccc5)cccc4)([n]1c(c4[n]3cccc4)cccc1)OC(=[O]2)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Acetatobis(2,2'-bipyridyl)zinc(II) hexafluorophosphate monohydrate
• Authors of publication: Rodrigues, B. L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1169 - m1171
• a: 8.4489 ± 0.0004 Å
• b: 10.0482 ± 0.0005 Å
• c: 14.9191 ± 0.0008 Å
• α: 77.264 ± 0.003°
• β: 87.306 ± 0.003°
• γ: 86.554 ± 0.003°
• Cell volume: 1232.44 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes