Information card for entry 4306974

Structure parameters

• Formula: C34 H26 N2 S4 Zn
• Calculated formula: C34 H26 N2 S4 Zn
• SMILES: [Zn]1(Sc2ccccc2)(Sc2ccccc2)[n]2cccc3c2c2[n]1cccc2c(c3c1ccsc1C)c1ccsc1C
• Title of publication: Syntheses, Luminescence Switching, and Electrochemical Studies of Photochromic Dithienyl-1,10-phenanthroline Zinc(II) Bis(thiolate) Complexes
• Authors of publication: Tung-Wan Ngan; Chi-Chiu Ko; Nianyong Zhu; Vivian Wing-Wah Yam
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1144 - 1152
• a: 25.168 ± 0.005 Å
• b: 14.457 ± 0.003 Å
• c: 17.048 ± 0.003 Å
• α: 90°
• β: 91.28 ± 0.03°
• γ: 90°
• Cell volume: 6201 ± 2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• 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: 0.0864
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No