Crystallography Open Database

Information card for entry 7011853

Preview

Coordinates	7011853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Cu N8 O
Calculated formula	C14 H8 Cu N8 O
Title of publication	Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/
Authors of publication	Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	19
Pages of publication	3712
a	7.3887 ± 0.0004 Å
b	11.961 ± 0.0006 Å
c	18.7679 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1658.64 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179822 (current)	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 7/01/18.	7011853.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011853.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011853.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7011853.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011853.cif