Crystallography Open Database

Information card for entry 4342056

4342055 << 4342056 >> 4342057

Preview

Coordinates	4342056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H66 F12 N12 P8 S14 W6
Calculated formula	C90 H66 F12 N12 P8 S14 W6
Title of publication	Synthesis and Structure of Trinuclear W3S4 Clusters Bearing Aminophosphine Ligands and Their Reactivity toward Halides and Pseudohalides.
Authors of publication	Beltrán, Tomás F; Pino-Chamorro, Jose Ángel; Fernández-Trujillo, M Jesús; Safont, Vicent S.; Basallote, Manuel G.; Llusar, Rosa
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	2
Pages of publication	607 - 618
a	16.3126 ± 0.0003 Å
b	16.3126 ± 0.0003 Å
c	27.3343 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	6299.19 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179523 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20.	4342056.cif
130503	2015-02-04	cif/ Updating files of 4342053, 4342054, 4342055, 4342056 Original log message: Adding full bibliography for 4342053--4342056.cif.	4342056.cif
129781	2015-01-17	cif/ Adding structures of 4342056 via cif-deposit CGI script.	4342056.cif