Information card for entry 7024814

Structure parameters

• Formula: C15 H23 Cu N4 O3.5 S6
• Calculated formula: C15 H23 Cu N4 O3.5 S6
• SMILES: [Cu]123([OH]C)N(C(=O)C4=C(SC(=C5SC(=C(S5)SC)SC)S4)C(=O)N2CC[NH2]3)CC[NH2]1.O
• Title of publication: Cu(II) and Ni(II) dioxotetraamine complexes integrated with tetrathiafulvalene moiety; structures and solution chemistry.
• Authors of publication: Lu, Zhe-Jun; Wang, Jin-Po; Zhu, Qin-Yu; Huo, Li-Bin; Qin, Yu-Rong; Dai, Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 2798 - 2803
• a: 17.545 ± 0.003 Å
• b: 19.829 ± 0.003 Å
• c: 15.151 ± 0.002 Å
• α: 90°
• β: 121.226 ± 0.002°
• γ: 90°
• Cell volume: 4507.4 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No