Information card for entry 7105702

Structure parameters

• Formula: C35.5 H32 F20 N8 Zn4
• Calculated formula: C32 H28 F20 N8 Zn4
• SMILES: [Zn]12(c3c(F)c(F)c(F)c(F)c3F)[NH]3[Zn]4(c5c(F)c(F)c(F)c(F)c5F)[NH]([Zn]5(c6c(F)c(F)c(F)c(F)c6F)[N]([NH]4[Zn](c4c(F)c(F)c(F)c(F)c4F)([N]3(C)C)[NH]2[N]5(C)C)(C)C)[N]1(C)C
• Title of publication: Enhancement of H2 uptake via fluorination but not lithiation for Zn4N8 and Zn4N6O type clusters.
• Authors of publication: Carl Redshaw; Surajit Jana; Congxiao Shang; Mark Elsegood; Xuesong Lu; Zhengxiao Guo
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 9055
• a: 41.8755 ± 0.0009 Å
• b: 10.1152 ± 0.0002 Å
• c: 21.2258 ± 0.0004 Å
• α: 90°
• β: 108.15 ± 0.001°
• γ: 90°
• Cell volume: 8543.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1082
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1427
• 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