Information card for entry 4337940

Structure parameters

• Formula: C25 H41 Cu N5 O3 S6
• Calculated formula: C25 H39 Cu N5 O3 S6
• SMILES: [Cu]123([O]=CN(C)C)N(C(=O)C4=C(SC(=C5SC(SC)=C(S5)SC)S4)C(=O)N2CC[NH]3CCCC)CC[NH]1CCCC
• Title of publication: Effect of Metal Coordination on Photocurrent Response Properties of a Tetrathiafulvalene Organogel Film.
• Authors of publication: Ji, Shu-Fang; Sun, Yong-Gang; Huo, Peng; Shen, Wei-Chun; Huang, Yu-De; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3611
• a: 13.661 ± 0.009 Å
• b: 15.647 ± 0.01 Å
• c: 17.922 ± 0.012 Å
• α: 103.56 ± 0.011°
• β: 112.429 ± 0.015°
• γ: 89.799 ± 0.003°
• Cell volume: 3427 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1541
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No