Crystallography Open Database

Information card for entry 7046930

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Structure parameters

Formula	C6 H8 N2 O6
Calculated formula	C6 H8 N2 O6
Title of publication	Coordination polymers from alkaline-earth nodes and pyrazine carboxylate linkers.
Authors of publication	Tang, Yiwen; Soares, Alexandre Cavaco; Ferbinteanu, Marilena; Gao, Yuan; Rothenberg, Gadi; Tanase, Stefania
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	30
Pages of publication	10071 - 10079
a	6.9599 ± 0.0006 Å
b	7.1381 ± 0.0004 Å
c	9.3226 ± 0.0006 Å
α	92.721 ± 0.007°
β	105.178 ± 0.007°
γ	110.866 ± 0.008°
Cell volume	412.56 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for all reflections included in the refinement	0.1674
Goodness-of-fit parameter for all reflections included in the refinement	0.89
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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