Crystallography Open Database

Information card for entry 1549169

Preview

Coordinates	1549169.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Catena(tris(mu-1,2-bis(4-pyridine)ethylene-N,N')-(mu-tetrakis(4-pyridyl) cyclobutane-N,N')-tetrakis(mu-diethylmalonato-O,O')-tetrazinc(II)
Formula	C22 H22.5 N2.5 O4 Zn
Calculated formula	C22 H22.5 N2.5 O4 Zn
Title of publication	Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers
Authors of publication	Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.
Journal of publication	IUCrJ
Year of publication	2018
Journal volume	5
Journal issue	3
a	9.845 ± 0.008 Å
b	22.082 ± 0.017 Å
c	21.905 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	4762 ± 6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.235
Residual factor for significantly intense reflections	0.1144
Weighted residual factors for significantly intense reflections	0.1887
Weighted residual factors for all reflections included in the refinement	0.2372
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
207159 (current)	2018-03-28	cif/ Adding structures of 1549161, 1549162, 1549163, 1549164, 1549165, 1549166, 1549167, 1549168, 1549169, 1549170, 1549171, 1549172 via cif-deposit CGI script.	1549169.cif