Information card for entry 8107298

Structure parameters

• Formula: C34 H26 N4 Ni O5
• Calculated formula: C34 H26 N4 Ni O5
• SMILES: [Ni]123(OC(=O)c4[n]1c(ccc4)c1ccccc1)(OC(=O)c1[n]2c(ccc1)c1ccccc1)[n]1c(c2[n]3cccc2)cccc1.O
• Title of publication: The crystal structure of [(2,2′-bipyridine-κ2 N,N)-bis(6-phenylpyridine-2-carboxylato- κ2 N,O)nickel(II)] monohydrate, C34H26N4O5Ni
• Authors of publication: Tingting, Zhou; Zhen, Cao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1079 - 1081
• a: 29.3459 ± 0.0013 Å
• b: 10.2867 ± 0.0004 Å
• c: 19.878 ± 0.0009 Å
• α: 90°
• β: 107.243 ± 0.005°
• γ: 90°
• Cell volume: 5730.9 ± 0.5 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No