Information card for entry 7051269

Structure parameters

• Common name: [Zn(Ph-protach)(Cl)]BPh4, (3)
• Chemical name: cis,cis-1,3,5-(E,E)-tri(phenyl-propenylideneamino)cyclohexane zinc(II) chloride tetraphenylborate, (3) {tri(phenyl-propenylideneamino)cyclohexane = (Ph-protach)}
• Formula: C60 H59 B Cl7 N3 Zn
• Calculated formula: C60 H59 B Cl7 N3 Zn
• SMILES: [Zn]12(Cl)[N](C3CC([N]2=CC=Cc2ccccc2)CC([N]1=CC=Cc1ccccc1)C3)=CC=Cc1ccccc1.C(Cl)Cl.ClCCl.ClCCl.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: 15.222 ± 0.01 Å
• b: 19.097 ± 0.009 Å
• c: 10.784 ± 0.01 Å
• α: 99.61 ± 0.06°
• β: 103.87 ± 0.07°
• γ: 76.73 ± 0.04°
• Cell volume: 2941 ± 4 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: 0.1414
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No