Crystallography Open Database

Information card for entry 1549163

Preview

Coordinates	1549163.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Catena((mu-Dimethylmalonato-O,O')(mu-1,2-bis(4-pyridine)ethylene-N,N')- zinc(II) (mu-Dimethylmalonato-O,O')(mu!4$-tetrakis(4- pyridyl)cyclobutane-N,N',N'',N''')- zinc(II) hydrate)
Formula	C17 H17 N2 O4.25 Zn
Calculated formula	C17 H17 N2 O4.25 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	8.3 ± 0.0017 Å
b	10.4 ± 0.002 Å
c	19.74 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1704 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1459
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.1857
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.9699 Å
Diffraction radiation type	synchrotron
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.	1549163.cif