Crystallography Open Database

Information card for entry 4316107

Preview

Coordinates	4316107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H111 Ir P4 Pd4 Re2 S8 Si4
Calculated formula	C98 H93 Ir P4 Pd4 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	15.55 ± 0.004 Å
b	15.646 ± 0.004 Å
c	24.209 ± 0.006 Å
α	71.615 ± 0.007°
β	81.275 ± 0.01°
γ	75.918 ± 0.009°
Cell volume	5403 ± 2 Å³
Cell temperature	293.1 K
Ambient diffraction temperature	293.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	4316107.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316107.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316107.cif
9297	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316107 via cif-deposit CGI script.	4316107.cif