Crystallography Open Database

Information card for entry 2230400

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Structure parameters

Chemical name	Poly[(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-pyrimidinium-2-carboxylato- κ^2^<i>O</i>:<i>O</i>')lithium(I)]
Formula	C5 H4 Li N3 O5
Calculated formula	C5 H4 Li N3 O5
SMILES	c1(C(=O)[O-])nccc[nH+]1.[Li+].[O-]N(=O)=O
Title of publication	Poly[(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-pyrimidinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')lithium(I)]
Authors of publication	Starosta, Wojciech; Leciejewicz, Janusz
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	6
Pages of publication	m818
a	12.403 ± 0.003 Å
b	9.329 ± 0.0019 Å
c	12.81 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1482.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181226 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/04.	2230400.cif 2230400.hkl
176798	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.	2230400.cif 2230400.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2230400.cif 2230400.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2230400.cif 2230400.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230400.cif 2230400.hkl
22560	2011-07-04	hkl/ Adding Fobs files for the recent IUCr data deposition.	2230400.cif 2230400.hkl
22383	2011-07-04	../uploads/cif-deposit/cod/cif Adding structures of 2230400 via cif-deposit CGI script.	2230400.cif