Crystallography Open Database

Information card for entry 2203580

2203579 << 2203580 >> 2203581

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Structure parameters

Chemical name	bis(hydrogen pyrazine-2,3-dicarboxylate)copper(II) N,N'-dimethylformamide disolvate
Formula	C18 H20 Cu N6 O10
Calculated formula	C18 H20 Cu N6 O10
SMILES	CN(C=O)C.[Cu]12([n]3c(C(=O)O1)c(C(=O)O)ncc3)[n]1c(C(=O)O2)c(C(=O)O)ncc1.CN(C)C=O
Title of publication	Polymeric bis(hydrogen pyrazine-2,3-dicarboxylato)copper(II) <i>N</i>,<i>N</i>'-dimethylformamide disolvate
Authors of publication	Guang-Qi Xiang; Nan-Wen Zhu; Mao-Lin Hu; Hong-Ping Xiao; Xiao-Xia Chen
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	5
Pages of publication	m647 - m649
a	6.289 ± 0.002 Å
b	7.679 ± 0.003 Å
c	12.686 ± 0.005 Å
α	76.147 ± 0.007°
β	88.002 ± 0.007°
γ	70.902 ± 0.007°
Cell volume	561.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.099
Residual factor for significantly intense reflections	0.0958
Weighted residual factors for significantly intense reflections	0.2619
Weighted residual factors for all reflections included in the refinement	0.2639
Goodness-of-fit parameter for all reflections included in the refinement	1.227
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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