Information card for entry 7041743

Structure parameters

• Formula: C50 H42 Cl0 N0 O0 P2 Pd S4
• Calculated formula: C50 H42 P2 Pd S4
• SMILES: Cc1c(C2=C(c3cc(c4ccccc4)sc3C)S[Pd]3([P](CC[P]3(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)S2)cc(c2ccccc2)s1
• Title of publication: An unprecedented photochromic system with cis-oriented dithienyl-dithiolenes supported by metal chelation.
• Authors of publication: Wang, Jiang; Shi, Lin-Xi; Wang, Jin-Yun; Chen, Jin-Xiang; Liu, Sheng-Hua; Chen, Zhong-Ning
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 2023 - 2029
• a: 25.348 ± 0.006 Å
• b: 12.843 ± 0.002 Å
• c: 14.647 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4768.2 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No