Crystallography Open Database

Information card for entry 1561015

Preview

Coordinates	1561015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 F6 N18 O43 Si W12
Calculated formula	C39 F6 N18 O43 Si W12
SMILES	C(C(c1c(cc(cc1)F)F)(Cn1ncnc1)O)n1cncn1.O1[W]234(O[W]567(O[W]89(O[W]%10%11%12(O[W]%13%14%15(O[W]%16%17%18(O[W]%19%20(O7)(=O)O[W]7%21(O[W]%22([O]7([Si]7([O]369)[O]%18%20[W](O4)(O[W]1(O%11)(O%14)([O]%12%157)=O)(O%17)(O%19)=O)[W](O%21)(O%22)(O%16)(O%13)=O)(O8)(O%10)=O)(O5)=O)=O)=O)=O)(=O)O2)=O)=O.C(C(c1ccc(cc1F)F)(Cn1ncnc1)O)n1cncn1.C(C(c1ccc(cc1F)F)(Cn1ncnc1)O)n1cncn1
Title of publication	Keggin polyoxometalates based hybrid compounds containing helix/nanocages for colorimetric biosensing
Authors of publication	Li, Xiao; Zhou, Kunfeng; Tong, Zhibo; Yang, Jianbo; Sheng, Ning; Li, Jisen; Sha, Jingquan
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	265
Pages of publication	372 - 380
a	18.836 ± 0.0008 Å
b	18.836 ± 0.0008 Å
c	25.942 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	7971 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
263036 (current)	2021-03-15	cif/ Adding structures of 1561015 via cif-deposit CGI script.	1561015.cif