Crystallography Open Database

Information card for entry 1558534

Preview

Coordinates	1558534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H76 K8 N Na9 Nd2 O165 Se4 W35
Calculated formula	K8 N Na9 Nd2 O165 Se4 W35
SMILES	[W]1234(O[W]567([O]89[W]%10%11(O5)(O[W]5%12%13(=O)O[W]%14([O]1=[Se]9[O]%13[W]19(O[W]8(O6)(O%10)(=O)O[W]68%10(=[O][Nd]%13%15%16%17([OH2])([O]=[W]%18%19%20(=O)[O]%21%22[W]%23%24(O[W]%25%26%27(O[W]%28%29(O[W]%30%31(O[W]%32%33%34(=O)[O]%35[W]%36(O%30)(=[O][Nd]%30%37([OH2])([OH2])([O]=[W]%38%39(=[O]%16)(O[W]%16%40(O[W]%41%42([O]%40=[Se]%40[O]%43[W]%44(O%12)(O%41)(O[W]%43(O1)(=[O]%30)(O[W]1%12(O[W]%30(=[O]%16)(O[W](=O)([O]%401%30)(O%12)(O%42)O%44)(O%38)=O)(=[O]%37)=O)=O)=O)(=O)O%14)(=O)O2)O[W]12(O[W]%12(=O)(O%15)(O%18)[O]%14[W]%15(=O)(O[W]%21(O[W]%16([O]%26([W](O%25)(O1)(=O)(O%16)O%39)=[Se]%22%14)(O%27)(=O)O%15)(=O)(O%20)O%24)(O2)O%12)=O)([O]=[W]12([O]%12[W]%14(O[W]%15%16([O]%18([W](O%15)(O[W]%18(O%28)(O%31)(=O)O%16)(O[W](O%14)(O%33)(O2)=O)(O%34)=O)=[Se]%35%12)(=O)O%10)(O6)(O1)=O)(=O)O%36)([O]=%29)[O]=8)(O%32)=O)=O)(=[O]%13)O%23)=O)(=O)O%19)([O]=7)([O]=N(=O)O%17)[O]=4)O9)(=O)O5)(O%11)(O3)=O)=O)=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Two unusual nanosized Nd<sup>3+</sup>-substituted selenotungstate aggregates simultaneously comprising lacunary Keggin and Dawson polyoxotungstate segments.
Authors of publication	Li, Hailou; Lian, Chen; Chen, Lijuan; Zhao, Junwei; Yang, Guo-Yu
Journal of publication	Nanoscale
Year of publication	2020
Journal volume	12
Journal issue	30
Pages of publication	16091 - 16101
a	18.6658 ± 0.0016 Å
b	21.9717 ± 0.0019 Å
c	22.0792 ± 0.0019 Å
α	71.751 ± 0.002°
β	67.119 ± 0.001°
γ	68.721 ± 0.002°
Cell volume	7616.1 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1135
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1845
Weighted residual factors for all reflections included in the refinement	0.2006
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
256127 (current)	2020-09-06	cif/ Updating files of 1558534, 1558535 Original log message: Adding full bibliography for 1558534--1558535.cif.	1558534.cif
254105	2020-07-08	cif/ Adding structures of 1558534, 1558535 via cif-deposit CGI script.	1558534.cif