Crystallography Open Database

Information card for entry 4111210

Preview

Coordinates	4111210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.5 H41 B6 Cl Fe Ir N2 O3 P
Calculated formula	C40.5 H41 B6 Cl Fe Ir N2 O3 P
Title of publication	Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions
Authors of publication	Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	16169 - 16177
a	10.3944 ± 0.0003 Å
b	18.816 ± 0.0006 Å
c	21.2227 ± 0.0006 Å
α	90°
β	91.146 ± 0.001°
γ	90°
Cell volume	4149.9 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 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.	4111210.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111210.cif
60735	2012-06-18	cif/ Adding structures of 4111210 via cif-deposit CGI script.	4111210.cif