Crystallography Open Database

Information card for entry 2214229

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Original IUCr paper	HTML

Structure parameters

Chemical name	catena-Poly[[aqua(pyrazine-2-carboxylato)copper(II)]-μ-pyrazine-2-carboxylato]
Formula	C10 H8 Cu N4 O5
Calculated formula	C10 H8 Cu N4 O5
SMILES	[Cu]12([n]3c(C(=O)O1)cncc3)([n]1c(C(=O)O2)cncc1)([OH2])[n]1cc2C(=O)O[Cu]3([n]2cc1)([n]1c(C(=O)O3)cncc1)[OH2]
Title of publication	<i>catena</i>-Poly[[aqua(pyrazine-2-carboxylato)copper(II)]-μ-pyrazine-2-carboxylato]
Authors of publication	Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling; Hao, Lu-Jiang
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m2006 - m2006
a	7.7379 ± 0.0005 Å
b	9.9021 ± 0.0005 Å
c	15.002 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1149.48 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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