Information card for entry 8106373

Structure parameters

• Formula: C32 H29 Cl N2 Ni O5
• Calculated formula: C32 H26 Cl N2 Ni O5
• SMILES: [Ni]123[N](=C(c4c(O2)ccc(Cl)c4)c2ccccc2)c2c([N]3=Cc3c(O1)c(OCC)ccc3)cccc2.O(CC)C(=O)C
• Title of publication: Crystal structure of [4-chloro-2-(((2-((3-ethoxy-2-oxidobenzylidene)amino)phenyl)imino)(phenyl)methyl)phenolato-κ4 N,N′,O,O′}nickel(II) - ethyl acetate (1/1), C32H29ClN2NiO5
• Authors of publication: Hong, Yong; Liu, Wei; Gou, Gaozhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 6
• Pages of publication: 989 - 991
• a: 9.7657 ± 0.0005 Å
• b: 10.1262 ± 0.0006 Å
• c: 16.0745 ± 0.0009 Å
• α: 83.025 ± 0.002°
• β: 77.437 ± 0.002°
• γ: 66.24 ± 0.002°
• Cell volume: 1419.02 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No