Crystallography Open Database

Information card for entry 7048329

Preview

Coordinates	7048329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 N4 O20 Zn4
Calculated formula	C48 H34 N4 O20 Zn4
Title of publication	Three viologen-derived Zn-organic materials: photochromism, photomodulated fluorescence, and inkless and erasable prints.
Authors of publication	Shi, Qing; Wu, Shi-Yu; Qiu, Xing-Tai; Sun, Yan-Qiong; Zheng, Shou-Tian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	3
Pages of publication	954 - 963
a	26.415 ± 0.006 Å
b	13.808 ± 0.003 Å
c	13.183 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4808.3 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
224589 (current)	2019-11-08	cif/ Updating files of 7048327, 7048328, 7048329 Original log message: Adding full bibliography for 7048327--7048329.cif.	7048329.cif
212511	2018-12-11	cif/ Adding structures of 7048327, 7048328, 7048329 via cif-deposit CGI script.	7048329.cif