Crystallography Open Database

Information card for entry 1514983

Preview

Coordinates	1514983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.35 H29.7 Ni O6.09 Pt S4
Calculated formula	C32.352 H29.704 Ni O6.088 Pt S4
Title of publication	Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions
Authors of publication	Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	2
Pages of publication	602
a	19.0697 ± 0.0015 Å
b	19.0697 ± 0.0015 Å
c	22.6005 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	8218.7 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	120
Hermann-Mauguin space group symbol	I -4 c 2
Hall space group symbol	I -4 -2c
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1514983.cif
110833	2014-04-20	cif/ Adding structures of 1514980, 1514981, 1514982, 1514983 via cif-deposit CGI script.	1514983.cif