Crystallography Open Database

Information card for entry 2239142

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Structure parameters

Chemical name	<i>catena</i>-Poly[[triaquamagnesium]-μ~2~-malonato]
Formula	C3 H8 Mg O7
Calculated formula	C3 H8 Mg O7
SMILES	[Mg]1(OC(=O)CC(=O)O1)([OH2])([OH2])([OH2])[O]=C1O[Mg](OC(=O)C1)([OH2])([OH2])[OH2]
Title of publication	<i>catena</i>-Poly[[triaquamagnesium]-μ~2~-malonato]
Authors of publication	de Klijn, Tim; Lutz, Martin
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	1
Pages of publication	m25 - m26
a	19.8109 ± 0.0015 Å
b	5.9314 ± 0.0004 Å
c	6.092 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	715.85 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
181891 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91.	2239142.cif 2239142.hkl
181310	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 2/23/91.	2239142.cif 2239142.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.	2239142.cif 2239142.hkl
105031	2014-03-11	cif/ hkl/ Adding structures of 2239142 via cif-deposit CGI script.	2239142.cif 2239142.hkl