Crystallography Open Database

Information card for entry 7126631

Preview

Coordinates	7126631.cif
Original paper (by DOI)	HTML

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 Ag<sub>42</sub> nanocluster with a tetrahedral kernel and its transformation to an Ag<sub>61</sub> 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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
254862 (current)	2020-08-06	cif/ Updating files of 7126630, 7126631 Original log message: Adding full bibliography for 7126630--7126631.cif.	7126631.cif
252556	2020-06-03	cif/ Adding structures of 7126630, 7126631 via cif-deposit CGI script.	7126631.cif