Crystallography Open Database

Information card for entry 7126416

Preview

Coordinates	7126416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H58 N8 O24 Zn3
Calculated formula	C94 H58 N8 O24 Zn3
Title of publication	Selective chemochromic and chemically-induced photochromic response of a metal-organic framework.
Authors of publication	Li, Peng; Sui, Qi; Guo, Meng-Yue; Yang, Shuai-Liang; Bu, Ran; Gao, En-Qing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	44
Pages of publication	5929 - 5932
a	12.652 ± 0.004 Å
b	18.915 ± 0.004 Å
c	21.672 ± 0.005 Å
α	90°
β	105.25 ± 0.02°
γ	90°
Cell volume	5004 ± 2 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 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	0.0762
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1682
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252677 (current)	2020-06-05	cif/ Updating files of 7126416 Original log message: Adding full bibliography for 7126416.cif.	7126416.cif
250955	2020-04-21	cif/ Adding structures of 7126416 via cif-deposit CGI script.	7126416.cif