Crystallography Open Database

Information card for entry 7042213

Preview

Coordinates	7042213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H46 N4 O26 S2 Zn3
Calculated formula	C38 H46 N4 O26 S2 Zn3
Title of publication	Anion-controlled photochromism of two bipyridinium-based coordination polymers and nondestructive luminescence readout.
Authors of publication	Yang, Xiao-Dong; Sun, Li; Chen, Cheng; Zhang, Ya-Jun; Zhang, Jie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	13
Pages of publication	4366 - 4372
a	28.5122 ± 0.0006 Å
b	11.1716 ± 0.0002 Å
c	18.7315 ± 0.0003 Å
α	90°
β	123.991 ± 0.002°
γ	90°
Cell volume	4947 ± 0.2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
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	0.0402
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195070 (current)	2017-04-05	cif/ Updating files of 7042213, 7042214 Original log message: Adding full bibliography for 7042213--7042214.cif.	7042213.cif
192703	2017-03-02	cif/ Adding structures of 7042213, 7042214 via cif-deposit CGI script.	7042213.cif