Crystallography Open Database

Information card for entry 1571992

1571991 << 1571992 >> 1571993

Preview

Coordinates	1571992.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ag38-Zn
Formula	C216 H367 Ag38 N46 O75 Si W9 Zn4
Calculated formula	C136 H207 Ag38 N6 O55 Si W9 Zn4
SMILES	[Ag]123[Ag]4[C]2([Ag][C]2([Ag]5[N]([Ag][C]3([Ag]31[Ag]1[C]4([Ag][C]4([Ag][C]6([Ag]7[Ag]8([C]97[Ag]([C]([Ag]7[O]%10[W]%11%12%13(O[W]%14%15%16(O[W]%17%18%19(O[W]%20%21%22(=O)O[W]%23%24([O]%25%26[Si]%27%28[O]%29%30[W]%31(O%17)(=O)([O]%17[Ag]%32[C]%33([Ag]%34[C]%35([Ag]%36[Ag]%37%35([Ag]([C]%35([Ag][C]%36([Ag][C]%36%38[Ag]%39([C]#%38C(C)(C)C)[C]%38([Ag]6([Ag]%38[C]8([Ag]6[Ag]([C]([Ag]%36)([Ag]%33)#CC(C)(C)C)[C]6([Ag]6[O]%14[Zn]8%14%10([O]%11%15%27)[O]76C(C)=[O][Zn]67%10%11[O]=C(C)[O]%15%32[Ag]([Ag])[O]%27[W]%32%29(O[W]%25(O[W](O%32)(=O)(O%20)([O]%18%22%28)O%19)(=[O][Ag]%18[C]([Ag]%35)([Ag][C]31#CC(C)(C)C)#[C]%18C(C)(C)C)(=[O][Zn]%26([O]=%24)([O]5C(C)=[O]6)([O]7[Zn]%30%17%15%27[O]8%10)[O]%14%11)O%23)(=O)O%31)#CC(C)(C)C)#CC(C)(C)C)[O]%13%21)#[C]%39C(C)(C)C)#CC(C)(C)C)#CC(C)(C)C)[C]%37([Ag])#CC(C)(C)C)ON(=O)=O)#[C]%34C(C)(C)C)#CC(C)(C)C)O%16)(O%12)=O)=O)=O)=O)([Ag][C]([Ag]2)([Ag]4)#CC(C)(C)C)#CC(C)(C)C)[C]#9C(C)(C)C)ON(=O)=O)#CC(C)(C)C)#CC(C)(C)C)#CC(C)(C)C)#CC(C)(C)C)([Ag]ON(=O)=O)#CC)#CC(C)(C)C)#CC(C)(C)C.N(=O)(=O)[O-].CC#N
Title of publication	Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.
Authors of publication	Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	31
Pages of publication	12543 - 12549
a	21.911 ± 0.003 Å
b	23.503 ± 0.003 Å
c	30.979 ± 0.004 Å
α	104.882 ± 0.004°
β	94.518 ± 0.004°
γ	92.303 ± 0.004°
Cell volume	15340 ± 4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1041
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.2019
Weighted residual factors for all reflections included in the refinement	0.2262
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
294478 (current)	2024-09-06	cif/ Updating files of 1571992, 1571993, 1571994, 1571995, 1571996, 1571997, 1571998 Original log message: Adding full bibliography for 1571992--1571998.cif.	1571992.cif
292551	2024-06-25	cif/ Adding structures of 1571992, 1571993, 1571994, 1571995, 1571996, 1571997, 1571998 via cif-deposit CGI script.	1571992.cif