Crystallography Open Database

Information card for entry 4105696

Preview

Coordinates	4105696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H121 Br14 Cd10 N9 O19 Pt13
Calculated formula	C65 H121 Br14 Cd10 N9 O19 Pt13
Title of publication	Icosahedral Pt-Centered Pt13 and Pt19 Carbonyl Clusters Decorated by [Cd5(μ-Br)5Br5-x(solvent)x]x+ Rings Reminiscent of the Decoration of Au-Fe-CO and Au-Thiolate Nanoclusters: A Unifying Approach to Their Electron Counts
Authors of publication	Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Stefano Zacchini; Salvatore Zarra
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	2406 - 2409
a	26.1251 ± 0.0014 Å
b	15.6936 ± 0.0009 Å
c	32.851 ± 0.002 Å
α	90°
β	109.296 ± 0.001°
γ	90°
Cell volume	12712.2 ± 1.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 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	0.0627
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178802 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/56.	4105696.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105696.cif
52457	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105696 via cif-deposit CGI script.	4105696.cif