Information card for entry 2240015

Structure parameters

• Common name: Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- <i>κ</i>^2^<i>N,O</i>^1^}nickel(II)
• Chemical name: Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- <i>κ</i>^2^<i>N,O</i>^1^}nickel(II)
• Formula: C28 H22 F2 N2 Ni O2
• Calculated formula: C28 H22 F2 N2 Ni O2
• SMILES: c12ccccc1C=[N](Cc1ccc(F)cc1)[Ni]1(O2)[N](=Cc2c(cccc2)O1)Cc1ccc(F)cc1
• Title of publication: Crystal structure of bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- <i>K</i>^2^<i>N,O</i>^1^}nickel(II)
• Authors of publication: Tajuddin, Amalina Mohd; Bahron, Hadariah; Hanafiah, Rohazila Mohammad; Ibrahim, Nazlina; Fun, Hoong-Kun; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 252 - 255
• a: 13.8611 ± 0.0003 Å
• b: 5.8334 ± 0.00001 Å
• c: 16.9942 ± 0.0003 Å
• α: 90°
• β: 125.998 ± 0.001°
• γ: 90°
• Cell volume: 1111.7 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0318
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes