Crystallography Open Database

Information card for entry 4071126

Preview

Coordinates	4071126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H47 Fe N5 P2
Calculated formula	C59 H47 Fe N5 P2
Title of publication	Syntheses, Structures, and Properties of Some Piano-Stool Iron Acetylides Bearing a Functional Anthracenyl Group
Authors of publication	Montigny, Frédéric de; Argouarch, Gilles; Roisnel, Thierry; Toupet, Loic; Lapinte, Claude; Lam, Sally Chan-Fung; Tao, Chi-Hang; Yam, Vivian Wing-Wah
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1912
a	12.113 ± 0.002 Å
b	24.413 ± 0.004 Å
c	16.942 ± 0.003 Å
α	90°
β	108.092 ± 0.005°
γ	90°
Cell volume	4762.3 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0385
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
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
178600 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/11.	4071126.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071126.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071126.cif
43058	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071126 via cif-deposit CGI script.	4071126.cif