Crystallography Open Database

Information card for entry 1572129

Preview

Coordinates	1572129.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ^3^<i>O</i>,<i>N</i>,<i>O</i>':2κ^3^<i>O</i>'',<i>N</i>',<i>O</i>'''-bis[trioxidomolybdate(VI)] tetrahydrate
Formula	C14 H40 Mo2 N6 O18
Calculated formula	C14 H40 Mo2 N6 O18
SMILES	C1(=O)C[N]2(CC[N]34CC(=O)O[Mo]4(OC(=O)C3)(=O)(=O)=O)CC(=O)O[Mo]2(O1)(=O)(=O)=O.[NH3+]CC[NH3+].O.O.C(C[NH3+])[NH3+].O.O
Title of publication	Bis(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ3 O,N,O′:2κ3 O′′,N′,O′′′-bis[trioxidomolybdate(VI)] tetrahydrate
Authors of publication	Yaffa, Lamine; Seye, Dame; Kama, Antoine Blaise; Toure, Assane; Diop, Cheikh Abdoul Khadir
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	7
Pages of publication	x240667
a	22.5897 ± 0.0014 Å
b	7.51 ± 0.0004 Å
c	16.3743 ± 0.001 Å
α	90°
β	94.716 ± 0.002°
γ	90°
Cell volume	2768.5 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0254
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1572129.cif
293409	2024-07-13	cif/ Adding structures of 1572129 via cif-deposit CGI script.	1572129.cif