Crystallography Open Database

Information card for entry 4511430

Preview

Coordinates	4511430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 Cu N2 O6
Calculated formula	C6 H6 Cu N2 O6
Title of publication	Generation of Linear Coordination Polymers ofcatena-[Diaqua-(μ-pyrazine-2,6-dicarboxylato-N,O,O‘-μ-N‘)copper(II) via in Situ Hydro(solvo)thermal Decarboxylation of Pyrazine-2,3,5,6-tetracarboxylic Acid
Authors of publication	Yigit, Mehmet V.; Wang, Yu; Moulton, Brian; MacDonald, John C.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	4
Pages of publication	829
a	6.756 ± 0.0017 Å
b	18.725 ± 0.005 Å
c	6.5954 ± 0.0017 Å
α	90°
β	109.716 ± 0.005°
γ	90°
Cell volume	785.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0385
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179661 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/14.	4511430.cif
118589	2014-06-30	cif/ Adding structures of 4511430 via cif-deposit CGI script.	4511430.cif