Information card for entry 8104590

Structure parameters

• Formula: C34 H26 N4 O5 Zn
• Calculated formula: C34 H26 N4 O5 Zn
• SMILES: [Zn]123(OC(=O)c4[n]3c(ccc4)c3ccccc3)(OC(=O)c3[n]1c(c1ccccc1)ccc3)[n]1ccccc1c1[n]2cccc1.O
• Title of publication: The crystal structure of bis(6-phenylpyridine-2-carboxylate-κ2 N,O)-(2,2′-bipyridine-κ2 N,N′)zinc(II) monohydrate, C34H26N4O5Zn
• Authors of publication: Wang, Li-Hua; Wang, Zi-Jian; Ouyang, Jian; Tai, Xi-Shi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1297 - 1299
• a: 29.3891 ± 0.0018 Å
• b: 10.326 ± 0.0005 Å
• c: 19.9101 ± 0.0011 Å
• α: 90°
• β: 106.837 ± 0.006°
• γ: 90°
• Cell volume: 5783.1 ± 0.6 ų
• Cell temperature: 199.99 ± 0.1 K
• Ambient diffraction temperature: 199.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No