Information card for entry 4330480

Structure parameters

• Formula: C29 H35 F12 N7 P2 S2 Zn
• Calculated formula: C29 H35 F12 N7 P2 S2 Zn
• SMILES: c1(ccc(cc1)[N+](C)(C)C)S[Zn]12([n]3c(c4[n]1c(c1[n]2[nH]cc1)ccc4)cc[nH]3)Sc1ccc(cc1)[N+](C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 35.349 ± 0.007 Å
• b: 10.044 ± 0.002 Å
• c: 10.502 ± 0.002 Å
• α: 90°
• β: 106.03 ± 0.03°
• γ: 90°
• Cell volume: 3583.7 ± 1.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.1369
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No