Crystallography Open Database

Information card for entry 1549170

Preview

Coordinates	1549170.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(1,2-Bis(4-pyridine)ethylene-N)-tetraaqua-zinc(II) bis(hydrogen diethylmalonate)
Formula	C38 H48 N4 O12 Zn
Calculated formula	C38 H48 N4 O12 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	22.881 ± 0.002 Å
b	6.8976 ± 0.0006 Å
c	14.1573 ± 0.0012 Å
α	90°
β	117.532 ± 0.002°
γ	90°
Cell volume	1981.3 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	1549170.cif