Crystallography Open Database

Information card for entry 4321729

Preview

Coordinates	4321729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 Cl5 Ir N2 P2 S8 W2
Calculated formula	C192 H216 Cl20 Ir4 N8 P8 S32 W8
Title of publication	Syntheses and Structures of Mixed-Metal Sulfido Clusters Containing Incomplete Cubane-Type M2M'S4 and Cubane-Type M2M'2S4 Cores (M = Mo, W; M' = Rh, Ir)
Authors of publication	Tomotake Ikada; Shigeki Kuwata; Yasushi Mizobe; Masanobu Hidai
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	64 - 69
a	10.521 ± 0.004 Å
b	32.325 ± 0.005 Å
c	17.277 ± 0.003 Å
α	90°
β	96.34 ± 0.02°
γ	90°
Cell volume	5840 ± 3 Å³
Cell temperature	23 K
Ambient diffraction temperature	23 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.068
Goodness-of-fit parameter for significantly intense reflections	1.9
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
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.	4321729.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321729.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321729.cif
19518	2011-05-15	../uploads/cif-deposit/cod/cif Adding structures of 4321729 via cif-deposit CGI script.	4321729.cif