Information card for entry 4347343

Structure parameters

• Formula: C103 H76 Ag9 N8 O22 S9 Zn3
• Calculated formula: C103 H76 Ag9 N8 O22 S9 Zn3
• SMILES: [Ag]123456[Ag]789%10%11[Ag]%12%133[S]3[Ag]%1447([S]%10([Ag]47%10%159[Ag]9%16%17%18[Ag]%19%201([S]([Ag]129([S]5%14c2ccccc2C(=O)[O-])[S]%10%18c2c(C(=O)O1)cccc2)c1ccccc1C(=O)[O]%20[Zn]1([OH2])(OC(=O)c2ccccc2[S]6%13%19)[n]2c(c5[n]1cccc5)cccc2)[S]%17([Ag]84%16([S]7c1c(C(=O)O%15)cccc1)[S]%11%12c1c(C(=O)O[Zn]([OH2])([OH2])OC(=O)c2ccccc32)cccc1)c1ccccc1C(=O)[O-])c1ccccc1C(=O)[O-])[OH2].[Zn]123([n]4c(c5[n]1cccc5)cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1c(c2[n]3cccc2)cccc1
• 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: 19.2601 ± 0.0005 Å
• b: 19.7648 ± 0.0006 Å
• c: 21.6077 ± 0.0006 Å
• α: 78.141 ± 0.002°
• β: 82.001 ± 0.002°
• γ: 79.392 ± 0.002°
• Cell volume: 7868.3 ± 0.4 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: 0.11
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No