Crystallography Open Database

Information card for entry 7114947

Preview

Coordinates	7114947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 Cl Cu N6 O4
Calculated formula	C13 H19 Cl Cu N6 O4
SMILES	[Cu]12([N](=Cc3[n]1cccc3)CC[N]12CCCCC1)(OCl(=O)(=O)=O)N=N#N
Title of publication	First observation of a ferromagnetic interaction through an end-to-end azido bridging pathway in a 1D copper(ii) system
Authors of publication	Maji, Tapas Kumar; Mukherjee, Partha Sarathi; Chaudhuri, Nirmalendu Ray; Mostafa, Golam; Mallah, Talal; Cano-Boquera, Joan
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	11
Pages of publication	1012
a	20.685 ± 0.004 Å
b	7.337 ± 0.002 Å
c	11.692 ± 0.002 Å
α	90°
β	95.73 ± 0.01°
γ	90°
Cell volume	1765.6 ± 0.7 Å³
Cell temperature	296 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.211
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180263 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/49.	7114947.cif
118439	2014-06-30	cif/ Adding structures of 7114947 via cif-deposit CGI script.	7114947.cif