Crystallography Open Database

Information card for entry 4339008

Preview

Coordinates	4339008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105.5 H108 Fe2 Mo N2 O4 P4
Calculated formula	C106 H104 Fe2 Mo N2 O4 P4
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	16.9178 ± 0.0008 Å
b	21.2629 ± 0.0008 Å
c	25.8518 ± 0.0009 Å
α	90°
β	98.706 ± 0.004°
γ	90°
Cell volume	9192.3 ± 0.6 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1932
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	0.737
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
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.	4339008.cif
117066	2014-06-14	cif/ Adding structures of 4339008 via cif-deposit CGI script.	4339008.cif