Information card for entry 7037911

Structure parameters

• Formula: C30 H34 Cl6 N4 Re S4
• Calculated formula: C30 H34 Cl6 N4 Re S4
• SMILES: c1(C)sc(C)c(c2c([nH+]c[nH]2)c2c(sc(c2)C)C)c1.Cl[Re](Cl)(Cl)(Cl)([Cl-])[Cl-].c1[nH]c(c([nH+]1)c1c(sc(c1)C)C)c1c(C)sc(c1)C
• Title of publication: Bisthienylethene Th2im and its complex (Th2imH)2[ReCl6]: crystalline-phase photochromism, and photochemical regulation of luminescence and magnetic properties.
• Authors of publication: Gong, Dan-Ping; Chen, Jun-Feng; Zhao, Yue; Cao, Deng-Ke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3443 - 3449
• a: 8.888 ± 0.003 Å
• b: 10.355 ± 0.003 Å
• c: 10.532 ± 0.004 Å
• α: 101.349 ± 0.004°
• β: 106.929 ± 0.004°
• γ: 93.294 ± 0.004°
• Cell volume: 902.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No