Crystallography Open Database

Information card for entry 1518932

Preview

Coordinates	1518932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H162 Mo60 N22.5 O601.26 Se21.57 W72
Calculated formula	C45 Mo60 N22.5 O601.26 Se21.57 W72
Title of publication	Selenate as a novel ligand for keplerate chemistry. New {W72Mo60} keplerates with selenates inside the cavity.
Authors of publication	Korenev, Vladimir S.; Abramov, Pavel A.; Vicent, Cristian; Zhdanov, Artem A.; Tsygankova, Alphiya R.; Sokolov, Maxim N.; Fedin, Vladimir P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	19
Pages of publication	8839 - 8845
a	32.8171 ± 0.0009 Å
b	32.8171 ± 0.0009 Å
c	74.653 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	69627 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1591
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation probe	x-ray
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1518932.cif
138732	2015-06-07	cif/ Updating files of 1518932 Original log message: Adding full bibliography for 1518932.cif.	1518932.cif
134534	2015-03-31	cif/ Adding structures of 1518932 via cif-deposit CGI script.	1518932.cif