Crystallography Open Database

Information card for entry 7011703

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Coordinates	7011703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H9 Cu N9 O0
Calculated formula	C14 H9 Cu N9
Title of publication	Three one-dimensional systems with end-to-end dicyanamide bridges between copper(II) centres: structural and magnetic properties
Authors of publication	José Carranza; Conor Brennan; Jorunn Sletten; Francesc Lloret; Miguel Julve
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	16
Pages of publication	3164 - 3170
a	7.689 ± 0.002 Å
b	16.975 ± 0.005 Å
c	11.689 ± 0.003 Å
α	90°
β	90.208 ± 0.007°
γ	90°
Cell volume	1525.6 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011703.cif
179821	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/17.	7011703.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011703.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011703.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011703.cif