Crystallography Open Database

Information card for entry 7118786

Preview

Coordinates	7118786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C279 H156 Co18 N124 O83 W12
Calculated formula	C279 H156 Co18 N124 O83 W12
Title of publication	Structural anisotropy of cyanido-bridged {CoW} single-molecule magnets induced by bidentate ligands: towards the rational enhancement of an energy barrier.
Authors of publication	Chorazy, Szymon; Rams, Michał; Hoczek, Anna; Czarnecki, Bernard; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Podgajny, Robert
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	26
Pages of publication	4772 - 4775
a	19.1433 ± 0.0003 Å
b	20.6439 ± 0.0004 Å
c	27.4002 ± 0.0005 Å
α	77.864 ± 0.005°
β	80.791 ± 0.006°
γ	66.5 ± 0.005°
Cell volume	9673.2 ± 0.5 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1138
Residual factor for significantly intense reflections	0.0953
Weighted residual factors for significantly intense reflections	0.1788
Weighted residual factors for all reflections included in the refinement	0.1852
Goodness-of-fit parameter for all reflections included in the refinement	1.268
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181538 (current)	2016-04-05	cif/ Updating files of 7118786 Original log message: Adding full bibliography for 7118786.cif.	7118786.cif
176820	2016-02-23	cif/ Adding structures of 7118786 via cif-deposit CGI script.	7118786.cif