Crystallography Open Database

Information card for entry 4316105

Preview

Coordinates	4316105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53.6 H75.4 Ir N0.8 P2 Pd Re2 S8 Si4
Calculated formula	C53.6 H42.4 Ir N0.8 P2 Pd Re2 S8 Si4
Title of publication	Core Conversion Reactions of the Cubane-Type Metal-Sulfido Clusters: Shape Shift, Contraction, and Expansion of the MM'Re2S4 Cubanes (M = Ir, Rh, Ru; M' = Pt, Pd)
Authors of publication	Rie Shibata; Hidetake Seino; Shunpei Fujii; Yasushi Mizobe
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	6889 - 6896
a	20.0952 ± 0.0007 Å
b	21.5969 ± 0.0008 Å
c	31.3188 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	13592.2 ± 0.8 Å³
Cell temperature	293.1 K
Ambient diffraction temperature	293.1 K
Number of distinct elements	9
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4316105.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316105.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316105.cif
9295	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316105 via cif-deposit CGI script.	4316105.cif