Crystallography Open Database

Information card for entry 1568001

Preview

Coordinates	1568001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Co N2 O4 Pd S4
Calculated formula	C18 H22 Co N2 O4 Pd S4
SMILES	c1cccc[n]1[Pd]1234[Co]([n]5ccccc5)(OC(C)=[S]1)(OC(C)=[S]2)(OC(C)=[S]3)OC(C)=[S]4
Title of publication	Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.
Authors of publication	Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	2
Pages of publication	266 - 276
a	9.7593 ± 0.0007 Å
b	18.2739 ± 0.0012 Å
c	13.1854 ± 0.0008 Å
α	90°
β	97.317 ± 0.002°
γ	90°
Cell volume	2332.3 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
283159 (current)	2023-05-05	cif/ Updating files of 1567999, 1568000, 1568001, 1568002, 1568003, 1568004 Original log message: Adding full bibliography for 1567999--1568004.cif.	1568001.cif
279477	2022-11-23	cif/ Adding structures of 1567999, 1568000, 1568001, 1568002, 1568003, 1568004 via cif-deposit CGI script.	1568001.cif