Crystallography Open Database

Information card for entry 4509808

Preview

Coordinates	4509808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 Cl2 Fe N4 O2.5
Calculated formula	C26 H28 Cl2 Fe N4 O2.5
Title of publication	Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems
Authors of publication	Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	12
Pages of publication	5024
a	17.081 ± 0.002 Å
b	17.081 ± 0.002 Å
c	42.554 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	12416 ± 3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1839
Residual factor for significantly intense reflections	0.1316
Weighted residual factors for significantly intense reflections	0.3889
Weighted residual factors for all reflections included in the refinement	0.4229
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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.	4509808.cif
97504	2014-01-29	cif/ Adding structures of 4509808 via cif-deposit CGI script.	4509808.cif