Crystallography Open Database

Information card for entry 1549164

Preview

Coordinates	1549164.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Catena(Bis(hydrogen dimethylmalonato-O,O')(mu-1,2-bis(4-pyridine)ethylene)- zinc(II))
Formula	C22 H24 N2 O8 Zn
Calculated formula	C22 H24 N2 O8 Zn
SMILES	[Zn](OC(=O)C(C(=O)O)(C)C)(OC(=O)C(C(=O)O)(C)C)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Zn](OC(=O)C(C(=O)O)(C)C)(OC(=O)C(C(=O)O)(C)C)[n]1ccc(cc1)/C=C/c1ccncc1
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	18.0211 ± 0.0008 Å
b	5.8795 ± 0.0002 Å
c	21.7192 ± 0.0012 Å
α	90°
β	113.89 ± 0.001°
γ	90°
Cell volume	2104.1 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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 all reflections	0.0298
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1549164.cif