Crystallography Open Database

Information card for entry 7216305

Preview

Coordinates	7216305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N2 O4
Calculated formula	C14 H12 N2 O4
SMILES	O(C(=O)c1ccncc1)CCOC(=O)c1ccncc1
Title of publication	Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/
Authors of publication	Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald
Journal of publication	CrystEngComm
Year of publication	2003
Journal volume	5
Journal issue	71
Pages of publication	405
a	6.9688 ± 0.0011 Å
b	10.6469 ± 0.0014 Å
c	8.8115 ± 0.0014 Å
α	90°
β	109.047 ± 0.018°
γ	90°
Cell volume	617.99 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	0.884
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
180494 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/63.	7216305.cif
115361	2014-06-03	cif/ Adding structures of 7216303, 7216304, 7216305 via cif-deposit CGI script.	7216305.cif