Crystallography Open Database

Information card for entry 4109148

Preview

Coordinates	4109148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ge2 H74 Na16 Np2 O109 W18
Calculated formula	Ge2 Na16 Np2 O109 W18
SMILES	O=[Np]1234(=O)[O]=[W]567(=O)[O]8[W]9(=[O]1)(O7)(=O)O[W]17(=O)(=O)[O]%10[W]%11%12(O7)(=O)O[W]7%13(O1)(=O)O[W]1%14%15(=O)O[W]%16(O6)(=O)(=O)[O]([Ge]8%10[O]7%14[W](=O)(O1)(O5)(O9)O%13)[W]1(O%15)(O%16)(=O)=[O][Np]5(=O)(=O)([O]=%12)([O]1%11)[O]=[W]167(=O)[O]8[W]9(=[O]5)(O1)(=O)O[W]15(=O)(=O)[O]%10[W]%11(=[O]2)(O5)(=O)[O]4[W]24(=[O]3)(=O)[O]3[W](=O)(O6)(O4)(=O)O[W]45(O2)(=O)O[W]2(=O)(O1)(O%11)[O]4([Ge]38%10)[W](=O)(O5)(O7)(O9)O2.[Na+].O.O.O.O.O.[Na+].[Na+].O.O.O.O.O.[Na+].O.O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.O.[Na+].[Na+].O.O.O.O.O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O
Title of publication	Luminescence from Neptunyl(VI) Species in Solution
Authors of publication	Catherine Talbot-Eeckelaers; Simon J. A. Pope; Amanda J. Hynes; Roy Copping; Chris J. Jones; Robin J. Taylor; Stephen Faulkner; Daniel Sykes; Francis R. Livens; Iain May
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	2442 - 2443
a	13.352 ± 0.003 Å
b	13.409 ± 0.003 Å
c	16.143 ± 0.003 Å
α	85.04 ± 0.03°
β	73.27 ± 0.03°
γ	64.51 ± 0.03°
Cell volume	2496.1 ± 1.2 Å³
Cell temperature	100 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	0.1291
Residual factor for significantly intense reflections	0.0998
Weighted residual factors for significantly intense reflections	0.2391
Weighted residual factors for all reflections included in the refinement	0.2552
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178837 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/91.	4109148.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109148.cif
57902	2012-05-23	cif/ Adding structures of 4109148 via cif-deposit CGI script.	4109148.cif