Crystallography Open Database

Information card for entry 2240310

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Structure parameters

Chemical name	Magnesium copper(II) bis[orthophosphate(V)] monohydrate
Formula	Cu1.35 H2 Mg1.65 O9 P2
Calculated formula	Cu1.343 H2 Mg1.657 O9 P2
Title of publication	Crystal structure of magnesium copper(II) bis[orthophosphate(V)] monohydrate
Authors of publication	Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	1
Pages of publication	55 - 57
a	8.0701 ± 0.0001 Å
b	9.8661 ± 0.0002 Å
c	8.9944 ± 0.0002 Å
α	90°
β	115.242 ± 0.001°
γ	90°
Cell volume	647.76 ± 0.02 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0212
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	1.242
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
181903 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03	2240310.cif 2240310.hkl
181323	2016-04-03	hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03.	2240310.cif 2240310.hkl
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2240310.cif 2240310.hkl
128741	2014-12-14	cif/ hkl/ Adding structures of 2240310 via cif-deposit CGI script.	2240310.cif 2240310.hkl