Information card for entry 7126631

Structure parameters

• Formula: C242 H444 Ag61 Cl5 S40
• Calculated formula: C242 H439 Ag61 Cl5 S40
• SMILES: [Ag]1234[Ag]56[Ag]3[Ag]3789[Ag]%10%11[S]%12([Ag][S]%13([Ag]%148[S]8([Ag][S]%15([Ag]%16[S]%17([Ag][S]%18%14([Ag]%14[Ag]%19%20%21%22[Ag]3[Ag]6%22[Ag][Ag]36%22([Ag]%23%20[Ag]%20[S]%24([Ag]%251[Cl]([Ag])[Ag]1%26[Ag]%21%23([Ag]7%19)[Ag]7[S]%191([Ag]%15[S]([Ag][S]([Ag]%19[S]%16([Ag][S]1%15([Ag]([S]%207C7CCCCC7)[S]7([Ag]6[S]6([Ag]%24[S]%16%19([Ag][S]%20([Ag]%21[S]%23([Ag]([S]%24%10([Ag]%10[S]%27([Ag]9[S]([Ag]8[S]%26([Ag][S]%10([Ag]2[S]2%25([Ag]8([Ag]([S]8C8CCCCC8)[S]([Ag]%202)C2CCCCC2)[S]%21([Ag]%24)C2CCCCC2)C2CCCCC2)C2CCCCC2)C2CCCCC2)([Ag]%13[S]([Ag][S]([Ag]%12%27)C2CCCCC2)C2CCCCC2)C2CCCCC2)C2CCCCC2)C2CCCCC2)[S]2%11([Ag][S]([Ag]%18[S]8([Ag][S]([Ag]2[S]2([Ag]%16%23)([Ag]3%19[S]3([Ag][S]([Ag]%221[S]%14([Ag]%17%15)([Ag]8[S]([Ag]2)C1CCCCC1)C1CCCCC1)([Ag]7[S]([Ag][S]([Ag]63)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)[Ag]45)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1.ClCCl.ClCCl
• Title of publication: All-thiolate-stabilized Ag₄₂ nanocluster with a tetrahedral kernel and its transformation to an Ag₆₁ nanocluster with a bi-tetrahedral kernel.
• Authors of publication: Chen, Tao; Yang, Sha; Song, Yongbo; Chai, Jinsong; Li, Qinzhen; Ma, Xiangyu; Li, Guang; Yu, Haizhu; Zhu, Manzhou
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 55
• Pages of publication: 7605 - 7608
• a: 22.088 ± 0.011 Å
• b: 39.696 ± 0.019 Å
• c: 39.85 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 34941 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1429
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.216
• Weighted residual factors for all reflections included in the refinement: 0.2502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No