Crystallography Open Database

Information card for entry 4509810

Preview

Coordinates	4509810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34 Cd Cl2 N4 O2
Calculated formula	C27 H31.5 Cd Cl2 N4 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	17.536 ± 0.001 Å
b	17.536 ± 0.001 Å
c	42.966 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	13212.5 ± 1.4 Å³
Cell temperature	219 ± 2 K
Ambient diffraction temperature	219 ± 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	0.1878
Residual factor for significantly intense reflections	0.1208
Weighted residual factors for significantly intense reflections	0.3743
Weighted residual factors for all reflections included in the refinement	0.4026
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179634 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/98.	4509810.cif
97506	2014-01-29	cif/ Adding structures of 4509810 via cif-deposit CGI script.	4509810.cif