Information card for entry 4306973

Structure parameters

• Formula: C37 H32 Cl2 N2 S4 Zn
• Calculated formula: C37 H32 Cl2 N2 S4 Zn
• SMILES: [Zn]1(Sc2ccc(cc2)C)(Sc2ccc(cc2)C)[n]2cccc3c2c2[n]1cccc2c(c3c1ccsc1C)c1ccsc1C.C(Cl)Cl
• 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: 15.205 ± 0.003 Å
• b: 8.952 ± 0.0018 Å
• c: 26.552 ± 0.005 Å
• α: 90°
• β: 91.49 ± 0.03°
• γ: 90°
• Cell volume: 3612.9 ± 1.2 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No