Crystallography Open Database

Information card for entry 4512156

Preview

Coordinates	4512156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H82 Na10 O80 Tb4 W8
Calculated formula	C4 Na6 O76 Tb4 W8
SMILES	C12=[O][Tb]3456([OH2])([OH2])[O]=[W]789(=[O][Tb]%10%11(O3)([O]=[W]3%12([O]%137[W](O8)(O[W]%13(O3)(=O)(O9)=[O]%10)(=O)(O%12)=[O]5)(=[O]4)=O)([O]=C3C(=[O]%11)O[Tb]457([O]=[W]89%10(=[O][Tb]%11([O]=[W]%12%13(=[O]4)(=O)[O]48[W](O9)(=O)(O%13)(O[W]4(O%12)(=O)(O%10)=[O]%11)=[O]5)(O2)(OC1=[O]6)(O7)([OH2])[OH2])=O)(O3)([OH2])[OH2])([OH2])[OH2])=O.[Na+].O.[Na+].O.O.O.O.O.O.O.[Na+].O.O.O.O.[Na+].O.O.O.O.[Na+].O.O.O.O.[Na+].O.O.O.O.O.O
Title of publication	Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties
Authors of publication	Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	5495
a	11.9039 ± 0.001 Å
b	35.504 ± 0.003 Å
c	9.8808 ± 0.0009 Å
α	90°
β	109.218 ± 0.001°
γ	90°
Cell volume	3943.3 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179668 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/21.	4512156.cif
126821	2014-11-11	cif/ Updating files of 4512153, 4512154, 4512155, 4512156, 4512157, 4512158, 4512159, 4512160 Original log message: Adding full bibliography for 4512153--4512160.cif.	4512156.cif
125501	2014-10-17	cif/ Adding structures of 4512153, 4512154, 4512155, 4512156, 4512157, 4512158, 4512159, 4512160 via cif-deposit CGI script.	4512156.cif