Crystallography Open Database

Information card for entry 1513646

Preview

Coordinates	1513646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 Cl Cu N4 O10 Re
Calculated formula	C21 H20 Cl Cu N4 O10 Re
Title of publication	Modification of coordination networks through a photoinduced charge transfer process
Authors of publication	Easun, Timothy L.; Jia, Junhua; Reade, Thomas J.; Sun, Xue-Zhong; Davies, E. Stephen; Blake, Alexander J.; George, Michael W.; Champness, Neil R.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	2
Pages of publication	539
a	10.0183 ± 0.0007 Å
b	27.574 ± 0.002 Å
c	9.4686 ± 0.0006 Å
α	90°
β	95.291 ± 0.001°
γ	90°
Cell volume	2604.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	0.91
Diffraction radiation wavelength	0.6942 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513646.cif
105096	2014-03-11	cif/ Adding structures of 1513646 via cif-deposit CGI script.	1513646.cif