Crystallography Open Database

Information card for entry 7046932

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Coordinates	7046932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Ca N2 O7
Calculated formula	C6 H8 Ca N2 O7
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	6.5656 ± 0.0008 Å
b	8.5184 ± 0.0011 Å
c	9.2413 ± 0.001 Å
α	105.14 ± 0.005°
β	95.387 ± 0.004°
γ	99.325 ± 0.007°
Cell volume	487.26 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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 significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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