Information card for entry 4311666

Structure parameters

• Chemical name: yclobis[(1,8-bis(4-pyridylethynyl)anthracene(Zn(II)-diacetate)]
• Formula: C68 H52 N4 O14 Zn4
• Calculated formula: C68 H52 N4 O14 Zn4
• SMILES: c1cc2cc[n]1[Zn]134([O]=C(O[Zn]5([n]6ccc(C#Cc7cccc8cc9cccc(C#Cc%10cc[n](cc%10)[Zn]%10%11([OH]3[Zn]([n]3ccc(cc3)C#Cc3cccc%12cc%13cccc(C#C2)c%13cc3%12)([O]=C(O%11)C)OC(=[O]%10)C)([OH]45)OC(=O)C)c9cc78)cc6)[O]=C(O1)C)C)OC(=O)C
• Title of publication: Synthesis and Crystal Structure of Two New Discrete, Neutral Complexes of Manganese and Zinc Using a Rigid Organic Clip
• Authors of publication: Partha Sarathi Mukherjee; Kil Sik Min; Atta M. Arif; Peter J. Stang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6345 - 6350
• a: 9.5817 ± 0.0003 Å
• b: 12.7255 ± 0.0003 Å
• c: 12.9526 ± 0.0005 Å
• α: 95.8816 ± 0.0018°
• β: 106.657 ± 0.0013°
• γ: 100.075 ± 0.0017°
• Cell volume: 1470.11 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No