Crystallography Open Database

Information card for entry 2008570

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Structure parameters

Chemical name	aquachloro(1-ethyl-1,4-dihydro-4-oxo-1,3-dioxolo[4,5-g]cinnoline-3-carboxylato- O^3^,O^4^)(1-ethyl-1,4-dihydro-4-oxo-1,3-dioxolo[4,5-g]cinnoline-3-carboxylic acid-O^3^,O^4^)copper(II)
Formula	C24 H21 Cl Cu N4 O11
Calculated formula	C24 H21 Cl Cu N4 O11
SMILES	[Cu]12(Cl)([OH2])([O]=C(O)C3=NN(c4c(C3=[O]1)cc1OCOc1c4)CC)OC(=O)C1=NN(c3c(C1=[O]2)cc1OCOc1c3)CC
Title of publication	[CuCl(C~12~H~9~N~2~O~5~)(C~12~H~10~N~2~O~5~)(H~2~O)]
Authors of publication	Ruíz, Monica; Ortiz, Rosa; Perelló, Lourdes; Alfonso Castiñeiras
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	6
Pages of publication	878 - 880
a	8.8712 ± 0.0018 Å
b	10.2642 ± 0.0012 Å
c	14.4412 ± 0.0009 Å
α	98.78 ± 0.005°
β	92.483 ± 0.009°
γ	104.804 ± 0.014°
Cell volume	1251.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.057
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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