Crystallography Open Database

Information card for entry 4339628

Preview

Coordinates	4339628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H49 Cs2 Mo8 N7 O28 S8
Calculated formula	C21 H49 Cs2 Mo8 N7 O28 S8
Title of publication	Changing the oxothiomolybdate ring from an anionic to a cationic receptor.
Authors of publication	Lemonnier, Jean-François; Floquet, Sébastien; Marrot, Jérôme; Kachmar, Ali; Bénard, Marc; Rohmer, Marie-Madeleine; Haouas, Mohamed; Taulelle, Francis; Henry, Marc; Cadot, Emmanuel
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9516 - 9518
a	38.626 ± 0.002 Å
b	38.626 ± 0.002 Å
c	13.6978 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	17699 ± 2 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	0.1143
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.2572
Weighted residual factors for all reflections included in the refinement	0.289
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
179499 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/96.	4339628.cif
117436	2014-06-15	cif/ Adding structures of 4339628 via cif-deposit CGI script.	4339628.cif