Crystallography Open Database

Information card for entry 7046931

Preview

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

Version history

Revision	Date	Message	Files
229813 (current)	2019-11-17	cif/ Updating files of 7046929, 7046930, 7046931, 7046932, 7046933, 7046934 Original log message: Adding full bibliography for 7046929--7046934.cif.	7046931.cif
208838	2018-07-05	cif/ Adding structures of 7046929, 7046930, 7046931, 7046932, 7046933, 7046934 via cif-deposit CGI script.	7046931.cif