Crystallography Open Database

Information card for entry 2214207

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Structure parameters

Chemical name	Aquamalonato(1,10-phenanthroline)copper(II) sesquihydrate
Formula	C15 H15 Cu N2 O6.5
Calculated formula	C15 H15 Cu N2 O6.5
SMILES	[Cu]12([n]3c4c5[n]2cccc5ccc4ccc3)(OC(=O)CC(=O)O1)[OH2].O.O
Title of publication	Aquamalonato(1,10-phenanthroline)copper(II) sesquihydrate
Authors of publication	Diallo, Madina; Dieng, Moussa; Gaye, Mohamed; Sall, Abdou Salam; Barry, Aliou Hamady; Beghidja Chahrazed
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m1810 - m1811
a	11.5591 ± 0.0002 Å
b	11.745 ± 0.0002 Å
c	12.5081 ± 0.0002 Å
α	92.177 ± 0.001°
β	105.457 ± 0.001°
γ	109.182 ± 0.0008°
Cell volume	1531.06 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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