Crystallography Open Database

Information card for entry 7125963

Preview

Coordinates	7125963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H184 K4 N8 O27
Calculated formula	C112 H184 K4 N8 O27
Title of publication	Stable, yet "naked", azo radical anion ArNNAr<sup>-</sup> and dianion ArNNAr<sup>2-</sup> (Ar = 4-CN-2,6-<sup>i</sup>Pr<sub>2</sub>-C<sub>6</sub>H<sub>2</sub>) with selective CO<sub>2</sub> activation.
Authors of publication	Wang, Wenqing; Tan, Gengwen; Feng, Rui; Fang, Yong; Chen, Chao; Ruan, Huapeng; Zhao, Yue; Wang, Xinping
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	22
Pages of publication	3285 - 3288
a	13.5116 ± 0.0006 Å
b	14.2386 ± 0.0008 Å
c	17.4578 ± 0.0008 Å
α	84.41 ± 0.002°
β	68.71 ± 0.001°
γ	86.045 ± 0.002°
Cell volume	3112.5 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1917
Weighted residual factors for all reflections included in the refinement	0.2123
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
250157 (current)	2020-04-05	cif/ Updating files of 7125960, 7125961, 7125962, 7125963, 7125964 Original log message: Adding full bibliography for 7125960--7125964.cif.	7125963.cif
248014	2020-02-11	cif/ Adding structures of 7125960, 7125961, 7125962, 7125963, 7125964 via cif-deposit CGI script.	7125963.cif