Crystallography Open Database

Information card for entry 7222385

Preview

Coordinates	7222385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H47 F12 Fe N9 P2
Calculated formula	C38 H47 F12 Fe N9 P2
Title of publication	Isocyanide Substitution Reactions at the Trans Labile Sites of an Iron(II) N-Heterocyclic Carbene Complex
Authors of publication	Haslinger, Stefan; Lindhorst, Anja Cosima; Kück, Jens Wilhelm; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz Elmar
Journal of publication	RSC Adv.
Year of publication	2015
a	19.9697 ± 0.0007 Å
b	11.5746 ± 0.0003 Å
c	18.9375 ± 0.0007 Å
α	90°
β	100.129 ± 0.002°
γ	90°
Cell volume	4309 ± 0.2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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 all reflections	0.1574
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation probe	x-ray
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222385.cif
171425	2015-12-10	cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with empty values from multiple entries.	7222385.cif
159090	2015-10-01	cif/ Adding structures of 7222383, 7222384, 7222385, 7222386, 7222387 via cif-deposit CGI script.	7222385.cif