Crystallography Open Database

Information card for entry 7122399

Preview

Coordinates	7122399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H64 Cd2 N4 O12
Calculated formula	C68 H64 Cd2 N4 O12
Title of publication	Photo-induced free radical production in a tetraphenylethylene ligand-based metal-organic framework.
Authors of publication	Xu, Kui; Yu, Bing; Li, Yuanyuan; Su, Huifang; Wang, Bingnan; Sun, Kai; Liu, Yuanyuan; Peng, Qiuchen; Hou, Hongwei; Li, Kai
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	92
Pages of publication	12942 - 12945
a	17.222 ± 0.008 Å
b	10.281 ± 0.004 Å
c	36.345 ± 0.018 Å
α	90°
β	102.86 ± 0.02°
γ	90°
Cell volume	6274 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1069
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.1939
Weighted residual factors for all reflections included in the refinement	0.2043
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228464 (current)	2019-11-17	cif/ Updating files of 7122399 Original log message: Adding full bibliography for 7122399.cif.	7122399.cif
211241	2018-09-30	cif/ Adding structures of 7122399 via cif-deposit CGI script.	7122399.cif