Information card for entry 4337939

Structure parameters

• Formula: C22 H34 N4 Ni O2 S6
• Calculated formula: C22 H34 N4 Ni O2 S6
• SMILES: [Ni]123N(C(=O)C4=C(SC(S4)=C4SC(=C(S4)SC)SC)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: 13.065 ± 0.004 Å
• b: 13.698 ± 0.004 Å
• c: 15.968 ± 0.004 Å
• α: 90°
• β: 90.385 ± 0.008°
• γ: 90°
• Cell volume: 2857.6 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No