Crystallography Open Database

Information card for entry 4316104

Preview

Coordinates	4316104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H89 Ir O P2 Pt Re2 S8 Si4
Calculated formula	C66 H74 Ir O P2 Pt 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	31.43 ± 0.004 Å
b	18.4077 ± 0.0018 Å
c	30.172 ± 0.004 Å
α	90 ± 0.0004°
β	114.336 ± 0.0005°
γ	90 ± 0.0004°
Cell volume	15905 ± 3 Å³
Cell temperature	293.1 K
Ambient diffraction temperature	293.1 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	4316104.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316104.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316104.cif
9294	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316104 via cif-deposit CGI script.	4316104.cif