Information card for entry 4330477

Structure parameters

• Formula: C32 H37 F12 N5 P2 S2 Zn
• Calculated formula: C32 H37 F12 N5 P2 S2 Zn
• SMILES: [Zn]1(Sc2ccc([N+](C)(C)C)cc2)(Sc2ccc([N+](C)(C)C)cc2)[n]2cccc3c2c2[n]1cccc2cc3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C
• Title of publication: Reactions of the Cationic Zinc Thiolate Model Complex [Zn(Tab)4](PF6)2 with N-Donor Ligands and Cobalt Dichloride
• Authors of publication: Ai-Xia Zheng; Jing Si; Xiao-Yan Tang; Li-Li Miao; Miao Yu; Kai-Peng Hou; Fan Wang; Hong-Xi Li; Jian-Ping Lang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10262 - 10273
• a: 6.2296 ± 0.0012 Å
• b: 15.48 ± 0.003 Å
• c: 20.076 ± 0.004 Å
• α: 80.93 ± 0.03°
• β: 82.28 ± 0.03°
• γ: 88.58 ± 0.03°
• Cell volume: 1894.5 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No