Information card for entry 7051268

Structure parameters

• Common name: [Ni(Ph-protach)(Cl)]BPh4, (2)
• Chemical name: cis,cis-1,3,5-(E,E)-tri(phenyl-propenylideneamino)cyclohexane nickel(II) chloride tetraphenylborate, (2) {tri(phenyl-propenylideneamino)cyclohexane = (Ph-protach)}
• Formula: C57 H53 B Cl N3 Ni
• Calculated formula: C57 H53 B Cl N3 Ni
• SMILES: [Ni]12(Cl)[N](C3CC([N]1=CC=Cc1ccccc1)CC([N]2=CC=Cc1ccccc1)C3)=CC=Cc1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Syntheses and structures of a range of metal complexes with the ligand cis,cis-1,3,5-(E,E)-tris(phenylpropenylideneamino)cyclohexane
• Authors of publication: Greener, Bryan; Foxon, Simon P.; Walton, Paul H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 269
• a: 15.579 ± 0.003 Å
• b: 16.549 ± 0.003 Å
• c: 19.916 ± 0.002 Å
• α: 90°
• β: 109.335 ± 0.01°
• γ: 90°
• Cell volume: 4845.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1229
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No