Crystallography Open Database

Information card for entry 7046931

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Coordinates	7046931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 Ca N2 O8
Calculated formula	C6 H10 Ca N2 O8
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	11.6399 ± 0.0012 Å
b	5.8956 ± 0.0004 Å
c	15.1677 ± 0.0014 Å
α	90°
β	104.286 ± 0.007°
γ	90°
Cell volume	1008.68 ± 0.16 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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