Crystallography Open Database

Information card for entry 2204188

2204187 << 2204188 >> 2204189

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Coordinates	2204188.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	catena-Poly[[[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ-benzene- 1,4-dioxyacetato-κ^3^O,O':O''] monohydrate]
Formula	C22 H20 Cu N2 O8
Calculated formula	C22 H20 Cu N2 O8
SMILES	[Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)COc1ccc(OCC(=O)[O-])cc1)([OH2])OC(=O)COc1ccc(OCC(=O)O[Cu]2([n]3cccc4ccc5ccc[n]2c5c34)[OH2])cc1.O.O
Title of publication	<i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-benzene-1,4-dioxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] monohydrate]
Authors of publication	Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	9
Pages of publication	m1231 - m1233
a	7.2444 ± 0.0014 Å
b	16.089 ± 0.003 Å
c	18.276 ± 0.004 Å
α	90°
β	98.85 ± 0.03°
γ	90°
Cell volume	2104.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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