Crystallography Open Database

Information card for entry 4344600

Preview

Coordinates	4344600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Mo6 Na3 O38 P5
Calculated formula	Mo6 Na3 O38 P5
SMILES	[O]12P3(=O)[O]4[Mo]567(O[Mo]91(O[Mo]12(O[Mo]%10%11([O]3[Mo]3(O[Mo]4(O3)(O7)(=O)OP(O5)(=O)[O-])(O%10)(=O)OP(O%11)(=O)[O-])(O1)=O)(=O)OP(O9)(=O)[O-])(=O)O6)=O.P(=O)([O-])([O-])[O-].[Na+].O.O.[Na+].O.[Na+]
Title of publication	Structure and Solution Speciation of U(IV) Linked Phosphomolybdate (Mo(V)) Clusters.
Authors of publication	Deb, Tapash; Zakharov, Lev; Falaise, Clément; Nyman, May
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	2
Pages of publication	755 - 761
a	12.121 ± 0.003 Å
b	12.655 ± 0.003 Å
c	13.29 ± 0.003 Å
α	108.612 ± 0.005°
β	115.266 ± 0.004°
γ	93.77 ± 0.005°
Cell volume	1697.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1162
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1673
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
286259 (current)	2023-09-07	cif/4 Fixing Z values and formulae	4344600.cif
175522	2016-02-04	cif/ Adding structures of 4344600 via cif-deposit CGI script.	4344600.cif