Crystallography Open Database

Information card for entry 2240885

Preview

Structure parameters

Chemical name	<i>catena</i>-Poly[[tetraaquamagnesium]-μ-(dihydrogen hypodiphosphato)-κ^2^<i>O</i>:<i>O</i>']
Formula	H10 Mg O10 P2
Calculated formula	H10 Mg O10 P2
SMILES	P(=O)(O[Mg]([OH2])([OH2])(OP(=O)(O)P(=O)(O[Mg]([OH2])([OH2])([OH2])[OH2])O)([OH2])[OH2])(O)P(=O)([O-])O
Title of publication	Crystal structure of <i>catena</i>-poly[[tetraaquamagnesium]-μ-(dihydrogen hypodiphosphato)-κ^2^<i>O</i>:<i>O</i>']
Authors of publication	Gjikaj, Mimoza; Haase, Madeline
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	7
Pages of publication	867 - 869
a	5.1486 ± 0.0015 Å
b	6.595 ± 0.002 Å
c	7.096 ± 0.002 Å
α	112.31 ± 0.02°
β	98.55 ± 0.02°
γ	98.28 ± 0.02°
Cell volume	215.08 ± 0.12 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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
181908 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08	2240885.cif 2240885.hkl
139744	2015-06-28	cif/ hkl/ Adding structures of 2240885 via cif-deposit CGI script.	2240885.cif 2240885.hkl