Crystallography Open Database

Information card for entry 4085126

Preview

Coordinates	4085126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 Fe4 Ir N O12
Calculated formula	C28 H34 Fe4 Ir N O12
Title of publication	[H3‒nFe4(CO)12(IrCOD)]n−(n= 1, 2) and [H2Fe3(CO)10(IrCOD)]−Bimetallic Fe‒Ir Hydride Carbonyl Clusters
Authors of publication	Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Zacchini, Stefano
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	1
Pages of publication	189
a	17.9672 ± 0.0009 Å
b	15.9083 ± 0.0008 Å
c	11.6754 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3337.2 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.0539
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178740 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/51.	4085126.cif
130813	2015-02-04	cif/ Updating files of 4085125, 4085126, 4085127 Original log message: Adding full bibliography for 4085125--4085127.cif.	4085126.cif
129251	2014-12-30	cif/ Adding structures of 4085125, 4085126, 4085127 via cif-deposit CGI script.	4085126.cif