Crystallography Open Database

Information card for entry 4070646

Preview

Coordinates	4070646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H8 Cu2 N2 O5
Calculated formula	C13 H8 Cu2 N2 O5
Title of publication	Mono- and Dipalladium Movement on the π-Conjugated Five-Carbon Chain
Authors of publication	Takahashi, Yoshiteru; Tsutsumi, Ken; Nakagai, Yuzo; Morimoto, Tsumoru; Kakiuchi, Kiyomi; Ogoshi, Sensuke; Kurosawa, Hideo
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	2
Pages of publication	276
a	13.668 ± 0.014 Å
b	8.401 ± 0.009 Å
c	12.406 ± 0.013 Å
α	90°
β	96.961 ± 0.013°
γ	90°
Cell volume	1414 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0665
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178595 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/06.	4070646.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070646.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070646.cif
42614	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070646 via cif-deposit CGI script.	4070646.cif