Crystallography Open Database

Information card for entry 1568003

Preview

Coordinates	1568003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 Co N2 O6 Pt S4
Calculated formula	C13 H16 Co N2 O6 Pt S4
SMILES	[Pt]1234[Co](OC(=[S]3)C)(OC(=[S]4)C)(OC(=[S]2)C)(OC(=[S]1)C)[n]1cc(N(=O)=O)ccc1
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	8.4707 ± 0.001 Å
b	12.2809 ± 0.0013 Å
c	19.82 ± 0.002 Å
α	90°
β	93.914 ± 0.004°
γ	90°
Cell volume	2057 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0391
Weighted residual factors for all reflections included in the refinement	0.0417
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	1568003.cif
279477	2022-11-23	cif/ Adding structures of 1567999, 1568000, 1568001, 1568002, 1568003, 1568004 via cif-deposit CGI script.	1568003.cif