Crystallography Open Database

Information card for entry 1562986

Preview

Coordinates	1562986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H41 Cd2 Cl2 N10 O40 P W12
Calculated formula	C58 H40 Cd2 Cl2 N10 O40 P W12
SMILES	[W]1234([O]56[W]78(O[W]9%10%11([O]=P%126[O]6%13[W]%14%15%16(O[W]%176(O[W](O2)(O[W]2(O[W]%13(O[W]6%13([O]%18%12[W](O[W]%18(O6)(O%15)(=O)O[W]5(O7)(O4)(O%16)=O)(O%13)(O8)(O9)=O)(O2)=O)(O%17)(O%14)=O)(O%10)=O)(O%11)=O)(O1)=O)=O)=O)(O3)=O)=O.[Cd]123([Cl][Cd]45([Cl]1)([n]1cccc6c1c1c(cc6)ccc[n]41)[n]1cccc4ccc6ccc[n]5c6c14)([n]1cccc4c1c1c(cc4)ccc[n]21)[n]1cccc2ccc4ccc[n]3c4c12.c1cc(ccn1)c1ccncc1
Title of publication	First examples of hybrids based on polyoxometalates, metal halide clusters and organic ligands
Authors of publication	Wang, La-Mei; Fan, Yong; Wang, Yan; Xiao, Li-Na; Hu, Yang-Yang; Peng, Yu; Wang, Tie-Gang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing
Journal of publication	Journal of Solid State Chemistry
Year of publication	2012
Journal volume	191
Pages of publication	257 - 262
a	11.567 ± 0.002 Å
b	12.931 ± 0.003 Å
c	13.907 ± 0.003 Å
α	85.52 ± 0.03°
β	80.98 ± 0.03°
γ	76.13 ± 0.03°
Cell volume	1992.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
265626 (current)	2021-05-31	cif/ Adding structures of 1562985, 1562986 via cif-deposit CGI script.	1562986.cif