Crystallography Open Database

Information card for entry 4333544

Preview

Coordinates	4333544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 F12 Fe N8 O3 P2
Calculated formula	C32 H40 F12 Fe N8 O3 P2
Title of publication	Iron Coordination Chemistry with New Ligands Containing Triazole and Pyridine Moieties. Comparison of the Coordination Ability of the N-Donors
Authors of publication	Nathalie Ségaud; Jean-Noël Rebilly; Katell Sénéchal-David; Régis Guillot; Laurianne Billon; Jean-Pierre Baltaze; Jonathan Farjon; Olivia Reinaud; Frédéric Banse
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	691 - 700
a	15.309 ± 0.0004 Å
b	17.8732 ± 0.0005 Å
c	13.6062 ± 0.0003 Å
α	90°
β	96.625 ± 0.001°
γ	90°
Cell volume	3698.08 ± 0.16 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
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	0.1016
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.2207
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179438 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/35.	4333544.cif
99339	2014-01-31	cif/ Adding structures of 4333544 via cif-deposit CGI script.	4333544.cif