Crystallography Open Database

Information card for entry 4328053

Preview

Coordinates	4328053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H80.5 As2 K8.5 N4 Na O106 Tb2 W19
Calculated formula	C24 As2 K8.5 N4 Na O115.5 Tb2 W19
SMILES	[W]1234(O[W]567(=O)O[W]89(O1)(O[W]1%10%11(=[O][Tb]%12%13%14([O]=8)([O]=[W]8%15%16(O[W]%17%18(O1)(=O)O[W]1([O]%19%17[W]%17(O%18)(=[O][Tb]%18%20([n]%21c(C(=O)O%18)cccc%21)([O]=8)([O]=[W](=O)(O%17)(O2)([O]35[As]%19[O]9%10)O7)([O]=[W]23([n]5ccccc5C(O3)=O)(O[W]357([O]8[W]9(O2)(O[W]2%10(O[W]%17(=[O]%20)([n]%18ccccc%18C(O%17)=O)(O4)=[O]%12)(=O)[O]4%12[W]%17(O[W]4(O2)(O[W]24([O]%18([As]8%12)[W](=O)(O2)(O7)(O%15)O[W]%18(O%17)(=[O]%14)(O4)=O)(O5)=O)(=O)O9)(O%10)(=O)=[O]%13)(O3)=O)=O)=O)[OH2])(=O)O1)(O6)(=O)O%11)[n]1c(C(=O)O%16)cccc1)[OH2])=O)=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[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.O.O.O.O.O
Title of publication	Sensitization of Lanthanoid Luminescence by Organic and Inorganic Ligands in Lanthanoid-Organic-Polyoxometalates
Authors of publication	Chris Ritchie; Valérie Baslon; Evan G. Moore; Christian Reber; Colette Boskovic
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1142 - 1151
a	18.1721 ± 0.0002 Å
b	27.0832 ± 0.0003 Å
c	25.6972 ± 0.0002 Å
α	90°
β	103.306 ± 0.001°
γ	90°
Cell volume	12307.6 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289031 (current)	2024-01-11	Fixing Z values and formulae	4328053.cif
179383	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/80.	4328053.cif
76997	2013-03-22	cif/ Adding structures of 4328053 via cif-deposit CGI script.	4328053.cif