Crystallography Open Database

Information card for entry 4342055

4342054 << 4342055 >> 4342056

Preview

Coordinates	4342055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H66 B Cl5 N3 P3 S4 W3
Calculated formula	C67 H65 B Cl5 N3 P3 S4 W3
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	13.6639 ± 0.0003 Å
b	15.5155 ± 0.0003 Å
c	18.3338 ± 0.0003 Å
α	100.704 ± 0.0014°
β	100.802 ± 0.0014°
γ	108.188 ± 0.0017°
Cell volume	3500.76 ± 0.13 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
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.	4342055.cif
130503	2015-02-04	cif/ Updating files of 4342053, 4342054, 4342055, 4342056 Original log message: Adding full bibliography for 4342053--4342056.cif.	4342055.cif
129780	2015-01-17	cif/ Adding structures of 4342055 via cif-deposit CGI script.	4342055.cif