Crystallography Open Database

Information card for entry 4339009

Preview

Coordinates	4339009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136.5 H133.5 Fe3 N3 P6
Calculated formula	C136.5 H132 Fe3 N3 P6
Title of publication	New polypyridine ligands functionalized with redox-active Fe(II) organometallic fragments.
Authors of publication	Paul, Frédéric; Goeb, Sébastien; Justaud, Frédéric; Argouarch, Gilles; Toupet, Loic; Ziessel, Raymond F.; Lapinte, Claude
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9036 - 9038
a	13.4551 ± 0.0002 Å
b	15.7071 ± 0.0002 Å
c	27.9066 ± 0.0004 Å
α	89.142 ± 0.001°
β	78.813 ± 0.001°
γ	79.659 ± 0.001°
Cell volume	5690.55 ± 0.14 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.115
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.1979
Weighted residual factors for all reflections included in the refinement	0.2238
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
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.	4339009.cif
117067	2014-06-14	cif/ Adding structures of 4339009 via cif-deposit CGI script.	4339009.cif