Crystallography Open Database

Information card for entry 1557197

Preview

Coordinates	1557197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H62 N6 O13 Zn2
Calculated formula	C58 H60 N6 O13 Zn2
SMILES	[Zn]123([N](c4c(cccc4)NC(=O)C(=C)C)=Cc4cccc(c4O1)OC)[N](=Cc1c4c(ccc1)[O]([Zn]1([N](=Cc5cccc(c5[O]31)OC)c1ccccc1NC(=O)C(=C)C)([O]24)OC(=O)C)C)c1ccccc1NC(=O)C(=C)C.C(C)O.O
Title of publication	Efficient white polymer light-emitting diodes (WPLEDs) based on covalent-grafting of [Zn2(MP)3(OAc)] into PVK
Authors of publication	Fu, Guorui; He, Yani; Li, Wentao; Miao, Tiezheng; Lü, Xingqiang; He, Hongshan; Liu, Li; Wong, Wai-Yeung
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	10
Pages of publication	2640 - 2646
a	15.21 ± 0.005 Å
b	16.731 ± 0.005 Å
c	23.716 ± 0.007 Å
α	90°
β	104.529 ± 0.006°
γ	90°
Cell volume	5842 ± 3 Å³
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.218
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257291 (current)	2020-10-06	cif/ Updating files of 1557197 Original log message: Adding full bibliography for 1557197.cif.	1557197.cif
250216	2020-04-05	cif/ Updating files of 1557197 Original log message: Adding full bibliography for 1557197.cif.	1557197.cif
247399	2020-01-31	cif/ Adding structures of 1557197 via cif-deposit CGI script.	1557197.cif