Crystallography Open Database

Information card for entry 7055684

Preview

Coordinates	7055684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H42 Mo3 N O9 P3 S10
Calculated formula	C25 H42 Mo3 N O9 P3 S10
Title of publication	Synthesis, structure and NMR studies of trinuclear Mo3S4clusters coordinated with dithiophosphate and chiral carboxylate ligands
Authors of publication	Gushchin, Artem L.; Hernandez-Molina, Rita; Anyushin, Alexander V.; Gallyamov, Marsel R.; Gonzalez-Platas, Javier; Moroz, Nikolay K.; Sokolov, Maxim N.
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	9
Pages of publication	7612
a	11.6738 ± 0.0005 Å
b	13.8873 ± 0.001 Å
c	16.3146 ± 0.0013 Å
α	112.477 ± 0.005°
β	101.227 ± 0.005°
γ	103.666 ± 0.005°
Cell volume	2251.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.183
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
186455 (current)	2016-09-10	cif/ Updating files of 7055684, 7055685 Original log message: Adding full bibliography for 7055684--7055685.cif.	7055684.cif
184336	2016-07-09	cif/ Adding structures of 7055684, 7055685 via cif-deposit CGI script.	7055684.cif