Crystallography Open Database

Information card for entry 7032540

Preview

Coordinates	7032540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cl Cu N4
Calculated formula	C16 H18 Cl Cu N4
Title of publication	Coordination frameworks assembled from Cu(II) ions and H2-1,3-bdpb ligands: X-ray and magneto structural investigations, and catalytic activity in the aerobic oxidation of tetralin.
Authors of publication	Grzywa, Maciej; Geßner, Christof; Bredenkötter, Björn; Denysenko, Dmytro; van Leusen, Jan; Kögerler, Paul; Klemm, Elias; Volkmer, Dirk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	44
Pages of publication	16846 - 16856
a	6.1784 ± 0.0008 Å
b	12.9041 ± 0.0017 Å
c	19.866 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1583.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
180031 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/25.	7032540.cif
126441	2014-11-06	cif/ Updating files of 7032538, 7032539, 7032540 Original log message: Adding full bibliography for 7032538--7032540.cif.	7032540.cif
123727	2014-09-12	cif/ Adding structures of 7032538, 7032539, 7032540 via cif-deposit CGI script.	7032540.cif