Crystallography Open Database

Information card for entry 7011653

Preview

Coordinates	7011653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Cu I N4 O2
Calculated formula	C14 H10 Cu I N4 O2
Title of publication	New U- and Y-shaped components for metallosupramolecular assemblies: synthesis and coordination chemistry of 2,6-bis(3-pyridyloxy)pyrazine
Authors of publication	McMorran, David A.; Steel, Peter J.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	17
Pages of publication	3321
a	14.819 ± 0.005 Å
b	15.055 ± 0.005 Å
c	15.475 ± 0.007 Å
α	90°
β	117.819 ± 0.015°
γ	90°
Cell volume	3053 ± 2 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0222
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.0484
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	7011653.cif
179820	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 7/01/16.	7011653.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011653.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011653.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011653.cif