Crystallography Open Database

Information card for entry 4071128

Preview

Coordinates	4071128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H49 Fe N3 P2
Calculated formula	C59 H49 Fe N3 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	14.979 ± 0.005 Å
b	16.927 ± 0.005 Å
c	19.189 ± 0.005 Å
α	90 ± 0.005°
β	101.118 ± 0.005°
γ	90 ± 0.005°
Cell volume	4774 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0557
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 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.	4071128.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071128.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071128.cif
43060	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071128 via cif-deposit CGI script.	4071128.cif