Crystallography Open Database

Information card for entry 1563001

Preview

Coordinates	1563001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H68 Ce2 N16 O51 W6
Calculated formula	C52 H68 Ce2 N16 O51 W6
SMILES	C(N(C)C)=[O][Ce]123([O]=CN(C)C)([O]=CN(C)C)([O]=C(c4cc(cc(c4)N(=O)=O)N(=O)=O)O[Ce]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=C(c4cc(cc(c4)N(=O)=O)N(=O)=O)O2)([O]=CN(C)C)(OC(=[O]3)c2cc(N(=O)=O)cc(N(=O)=O)c2)[O]=C(c2cc(N(=O)=O)cc(N(=O)=O)c2)O1)[O]=CN(C)C.O=[W]1234O[W]567(O[W]89(O1)(=O)O[W]1%10([O]%11359[W](O8)(O2)(=O)(O1)O[W]%11(O%10)(=O)(O4)O6)(=O)O7)=O
Title of publication	Lanthanide-organic complexes based on polyoxometalates: Solvent effect on the luminescence properties
Authors of publication	Tang, Qun; Liu, Shu-Xia; Liang, Da-Dong; Ma, Feng-Ji; Ren, Guo-Jian; Wei, Feng; Yang, Yuan; Li, Cong-Cong
Journal of publication	Journal of Solid State Chemistry
Year of publication	2012
Journal volume	190
Pages of publication	85 - 91
a	13.2697 ± 0.0013 Å
b	13.8499 ± 0.0019 Å
c	14.224 ± 0.002 Å
α	102.624 ± 0.012°
β	100.984 ± 0.01°
γ	115.959 ± 0.012°
Cell volume	2168.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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
265630 (current)	2021-05-31	cif/ Adding structures of 1563000, 1563001, 1563002, 1563003, 1563004 via cif-deposit CGI script.	1563001.cif