Crystallography Open Database

Information card for entry 4509805

Preview

Coordinates	4509805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.5 H30.5 Cl2 Cu N3 O1.75
Calculated formula	C23.5 H29 Cl2 Cu N3 O1.75
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	22.062 ± 0.009 Å
b	16.984 ± 0.008 Å
c	15.647 ± 0.007 Å
α	90°
β	118.183 ± 0.006°
γ	90°
Cell volume	5168 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1468
Residual factor for significantly intense reflections	0.1072
Weighted residual factors for significantly intense reflections	0.2587
Weighted residual factors for all reflections included in the refinement	0.2875
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	4509805.cif
97501	2014-01-29	cif/ Adding structures of 4509805 via cif-deposit CGI script.	4509805.cif