Crystallography Open Database

Information card for entry 7225193

Preview

Coordinates	7225193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H36 N2 O17 Zn3
Calculated formula	C54 H36 N2 O17 Zn3
Title of publication	A fast-response photochromic host‒guest coordination polymer with a close-packed stacking structure
Authors of publication	Hu, Shuzhi; You, Maolin; Chen, Shuhuang; Fu, Zhiyong
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	38
Pages of publication	7221
a	9.422 ± 0.0019 Å
b	10.196 ± 0.002 Å
c	25.032 ± 0.005 Å
α	90°
β	96.37 ± 0.03°
γ	90°
Cell volume	2389.9 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1401
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
187032 (current)	2016-10-08	cif/ Updating files of 7225193 Original log message: Adding full bibliography for 7225193.cif.	7225193.cif
182888	2016-05-12	cif/ Adding structures of 7225193 via cif-deposit CGI script.	7225193.cif