Crystallography Open Database

Information card for entry 7037525

Preview

Coordinates	7037525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cu N8 O2
Calculated formula	C24 H18 Cu N8 O2
SMILES	N(=N#N)[Cu]([n]1ccc(cc1)C(=O)c1ccccc1)([n]1ccc(cc1)C(=O)c1ccccc1)N=N#N
Title of publication	Structural and magnetic modulations of copper(ii) azido complexes: unexpected in situ reactions of mono-N-donor pyridine-based co-ligands.
Authors of publication	Zhao, Jiong-Peng; Xie, Yabo; Li, Jian-Rong; Bu, Xian-He
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	4
Pages of publication	1514 - 1524
a	3.8316 ± 0.0008 Å
b	8.6029 ± 0.0017 Å
c	16.855 ± 0.003 Å
α	94.24 ± 0.03°
β	96.16 ± 0.03°
γ	99.46 ± 0.03°
Cell volume	542.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
176015 (current)	2016-02-05	cif/ Updating files of 7037523, 7037524, 7037525, 7037526 Original log message: Adding full bibliography for 7037523--7037526.cif.	7037525.cif
170712	2015-12-04	cif/ Adding structures of 7037523, 7037524, 7037525, 7037526 via cif-deposit CGI script.	7037525.cif