Crystallography Open Database

Information card for entry 4323035

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Coordinates	4323035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H80 B Fe Ir4 S4
Calculated formula	C256 H320 B4 Fe4 Ir16 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	19.649 ± 0.004 Å
b	17.601 ± 0.003 Å
c	20.321 ± 0.003 Å
α	90°
β	116.84 ± 0.01°
γ	90°
Cell volume	6271 ± 2 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	0.044
Weighted residual factors for significantly intense reflections	0.035
Goodness-of-fit parameter for significantly intense reflections	1.61
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.	4323035.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323035.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323035.cif
21989	2011-06-30	../uploads/cif-deposit/cod/cif Adding structures of 4323035 via cif-deposit CGI script.	4323035.cif