Crystallography Open Database

Information card for entry 4509807

Preview

Coordinates	4509807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H46 Cl2 Fe N6 O2
Calculated formula	C39 H42 Cl2 Fe0.99 N6 O2
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	16.517 ± 0.002 Å
b	26.922 ± 0.004 Å
c	17.221 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7657.7 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.1883
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1724
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
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.	4509807.cif
97503	2014-01-29	cif/ Adding structures of 4509807 via cif-deposit CGI script.	4509807.cif