Crystallography Open Database

Information card for entry 4321730

Preview

Coordinates	4321730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.5 H45 Cl3 Mo2 N2 Rh2 S8
Calculated formula	C220 H352 Cl40 Mo16 N16 Rh16 S64
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	26.312 ± 0.004 Å
b	10.847 ± 0.004 Å
c	32.9 ± 0.003 Å
α	90°
β	111.274 ± 0.008°
γ	90°
Cell volume	8750 ± 4 Å³
Cell temperature	23 K
Ambient diffraction temperature	23 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.052
Goodness-of-fit parameter for significantly intense reflections	4.35
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.	4321730.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321730.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321730.cif
19519	2011-05-15	../uploads/cif-deposit/cod/cif Adding structures of 4321730 via cif-deposit CGI script.	4321730.cif