Information card for entry 8105444

Structure parameters

• Formula: C40 H32 Cl2 N4 O7 Zn
• Calculated formula: C40 H32 Cl2 N4 O7 Zn
• SMILES: [Zn]12(OC(=O)c3ccccc3C(=O)c3cc(N)c(Cl)cc3)(OC(=[O]1)c1ccccc1C(=O)c1cc(N)c(Cl)cc1)[n]1ccccc1c1[n]2cccc1.OCC
• Title of publication: The crystal structure 2,2′-bipyridine-κ2 N,N′-(2-(3-amino-4-chlorobenzoyl)benzoato-κ1 O)-(2-(3-amino-4-chlorobenzoyl)benzoato-κ2 O,O′)zinc(II) — ethanol (1/1), C40H32Cl2N4O7Zn
• Authors of publication: Li-Hua, Wang; Lei, Liang; Xi-Shi, Tai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1281 - 1283
• a: 13.5114 ± 0.0008 Å
• b: 16.5735 ± 0.0007 Å
• c: 17.0403 ± 0.0009 Å
• α: 90°
• β: 107.528 ± 0.006°
• γ: 90°
• Cell volume: 3638.7 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No