Crystallography Open Database

Information card for entry 2238886

Preview

Coordinates	2238886.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[aqualithium(I)]-μ-3-carboxy-5,6-dimethylpyrazine-2-carboxylato-κ^4^<i>O</i>^2^,<i>N</i>^1^:<i>O</i>^3^,<i>N</i>^4^]
Formula	C8 H9 Li N2 O5
Calculated formula	C8 H9 Li N2 O5
Title of publication	<i>catena</i>-Poly[[aqualithium(I)]-μ-3-carboxy-5,6-dimethylpyrazine-2-carboxylato-κ^4^<i>O</i>^2^,<i>N</i>^1^:<i>O</i>^3^,<i>N</i>^4^]
Authors of publication	Starosta, Wojciech; Leciejewicz, Janusz
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m655 - m656
a	16.9052 ± 0.0002 Å
b	16.798 ± 0.0002 Å
c	14.3805 ± 0.0002 Å
α	90°
β	97.272 ± 0.001°
γ	90°
Cell volume	4050.83 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0518
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238886.cif
92237	2014-01-12	cif/ Adding structures of 2238886 via cif-deposit CGI script.	2238886.cif