Crystallography Open Database

Information card for entry 2012332

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Structure parameters

Common name	[Cu(H~2~PO~4~)~2~(H~2~O)~2~(4,4'-bipy)~2~]
Chemical name	Diaquabis(4,4'-bipyridine)bis(dihydrogenphosphato)copper(II)
Formula	C20 H24 Cu N4 O10 P2
Calculated formula	C20 H24 Cu N4 O10 P2
SMILES	c1cc(cc[n]1[Cu](OP(=O)(O)O)([n]1ccc(cc1)c1ccncc1)OP(=O)(O)O)c1ccncc1.O.O
Title of publication	Diaquabis(4,4'-bipyridine-<i>N</i>)bis(dihydrogenphosphato-<i>O</i>)copper(II): blocking of extended metal–ligand coordination by hydrogen bonding
Authors of publication	Abu-Shandi, Khalid; Janiak, Christoph; Kersting, Berthold
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	11
Pages of publication	1261 - 1264
a	7.948 ± 0.002 Å
b	10.208 ± 0.002 Å
c	14.362 ± 0.003 Å
α	85.693 ± 0.005°
β	82.008 ± 0.005°
γ	89.172 ± 0.005°
Cell volume	1150.6 ± 0.4 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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