Crystallography Open Database

Information card for entry 2020301

2020300 << 2020301 >> 2020302

Preview

Coordinates	2020301.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[dibromidozinc(II)]-μ-[3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione-κ^2^<i>N</i>:<i>N</i>']]
Formula	C24 H14 Br2 N2 O2 Zn
Calculated formula	C24 H14 Br2 N2 O2 Zn
SMILES	Br[Zn](Br)([n]1ccc(cc1)c1ccc2c(c1)c1c(C(=O)C2=O)ccc(c1)c1cc[n](cc1)[Zn](Br)Br)[n]1ccc(cc1)c1ccc2c(c3c(ccc(c4ccncc4)c3)C(=O)C2=O)c1
Title of publication	Novel one- and two-dimensional Zn^II^ coordination polymers based on a versatile 3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione ligand
Authors of publication	Jin, Guoxia; Wang, Jia; Wu, Qidi; Han, Zheng; Ma, Jianping
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	12
a	10.169 ± 0.003 Å
b	7.858 ± 0.002 Å
c	13.818 ± 0.004 Å
α	90°
β	105.757 ± 0.004°
γ	90°
Cell volume	1062.7 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	0.851
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
170562 (current)	2015-11-27	cif/ hkl/ Adding structures of 2020301, 2020302 via cif-deposit CGI script.	2020301.cif