Information card for entry 4335218

Structure parameters

• Formula: C70 H72 Cl4 N4 O4 Zn2
• Calculated formula: C70 H72 Cl4 N4 O4 Zn2
• SMILES: c12ccccc1[N]1=Cc3cc(cc(c3O[Zn]341[N]2=Cc1c(ccc(c1)c1ccccc1)[O]3[Zn]123[N](=Cc5c(ccc(c5)c5ccccc5)[O]42)c2ccccc2[N]1=Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Crowded Bis-(M-salphen) [M = Pt(II), Zn(II)] Coordination Architectures: Luminescent Properties and Ion-Selective Responses
• Authors of publication: Wah-Leung Tong; Shek-Man Yiu; Michael C. W. Chan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7114 - 7124
• a: 12.1686 ± 0.0007 Å
• b: 24.5323 ± 0.0009 Å
• c: 11.6177 ± 0.0006 Å
• α: 90°
• β: 114.578 ± 0.006°
• γ: 90°
• Cell volume: 3153.9 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0305
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No