Crystallography Open Database

Information card for entry 1549168

Preview

Coordinates	1549168.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Catena((mu-1,2-bis(4-pyridine)ethylene-N,N')- (mu-diethylmalonato-O,O')-zinc(II) 1,2-bis(4-pyridine)ethylene solvate)
Formula	C22 H22.5 N2.5 O4 Zn
Calculated formula	C22 H22.25 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	9.8266 ± 0.0005 Å
b	22.0654 ± 0.0012 Å
c	22.1641 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4805.8 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1398
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	1549168.cif