Crystallography Open Database

Information card for entry 4323034

Preview

Coordinates	4323034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H62 Cl6 Ir4 Ni2 S4
Calculated formula	C164 H248 Cl24 Ir16 Ni8 S16
Title of publication	Metal-Metal Bonding in Pentanuclear Bow-Tie Metal Sulfido Clusters. Synthetic and Structural Studies on the Cationic Pentanuclear Clusters [(CpIr)2(μ3-S)2M(μ3-S)2(IrCp)2]n+ (M = Fe, Co, Ni; n = 1, 2)
Authors of publication	Zhen Tang; Yasuo Nomura; Shigeki Kuwata; Youichi Ishii; Yasushi Mizobe; Masanobu Hidai
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	4909 - 4920
a	13.205 ± 0.006 Å
b	17.303 ± 0.008 Å
c	22.877 ± 0.006 Å
α	90°
β	92.95 ± 0.03°
γ	90°
Cell volume	5220 ± 4 Å³
Cell temperature	23 K
Ambient diffraction temperature	23 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.041
Goodness-of-fit parameter for significantly intense reflections	1.56
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.	4323034.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323034.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323034.cif
21988	2011-06-30	../uploads/cif-deposit/cod/cif Adding structures of 4323034 via cif-deposit CGI script.	4323034.cif