Information card for entry 4330484

Structure parameters

• Formula: C24 H30 Cl Co F6 N6 P S
• Calculated formula: C24 H30 Cl Co F6 N6 P S
• SMILES: [Co]12(Sc3ccc([N+](C)(C)C)cc3)([n]3n(c(cc3C)C)c3[n]1c(n1[n]2c(cc1C)C)ccc3)Cl.[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: 8.7041 ± 0.0017 Å
• b: 11.955 ± 0.002 Å
• c: 15.116 ± 0.003 Å
• α: 70.07 ± 0.03°
• β: 74.73 ± 0.03°
• γ: 84.35 ± 0.03°
• Cell volume: 1426.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No