Information card for entry 4347344

Structure parameters

• Formula: C163 H121 Ag9 N20 O21 S9 Zn5
• Calculated formula: C163 H121 Ag9 N20 O21 S9 Zn5
• SMILES: [Ag]123[S]45[Ag][S]67[Ag]8([S]2c2c(C(=O)[O]3[Zn]3([OH2])(OC(=O)c9ccccc9[S]91[Ag][S]18[Ag]8%10[S]([Ag]9[S]9([Ag][S]%118[Ag]6([S]6[Ag]49[O]([Zn]4([OH2])(OC(=O)c8c5cccc8)[n]5ccccc5c5[n]4cccc5)C(=O)c4ccccc64)[O]4=C(O[Zn]564([n]4ccccc4c4[n]6cccc4)[n]4c(cccc4)c4cccc[n]54)c4c%11cccc4)c4c(C(=O)[O-])cccc4)c4c(C(=O)[O]%10[Zn]5(OC(=O)c6c1cccc6)(O)[n]1ccccc1c1[n]5cccc1)cccc4)[n]1ccccc1c1[n]3cccc1)cccc2)OC(=O)c1ccccc71.[Zn]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1c(cccc1)c1cccc[n]31.n1c(c2ncccc2)cccc1.n1c(cccc1)c1ccccn1
• Title of publication: Near-Infrared Emitters: Stepwise Assembly of Two Heteropolynuclear Clusters with Tunable Ag(I):Zn(II) Ratio.
• Authors of publication: Wang, Zhi; Zhuang, Gui-Lin; Deng, Yong-Kai; Feng, Zhen-Yu; Cao, Zhao-Zhen; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 4757 - 4763
• a: 20.2213 ± 0.0009 Å
• b: 20.5331 ± 0.0012 Å
• c: 26.3995 ± 0.0012 Å
• α: 107.385 ± 0.004°
• β: 104.141 ± 0.003°
• γ: 105.049 ± 0.004°
• Cell volume: 9465.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.1815
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2185
• Weighted residual factors for all reflections included in the refinement: 0.2578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No