Crystallography Open Database

Information card for entry 1568622

Preview

Coordinates	1568622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H86 B2 N6
Calculated formula	C68 H86 B2 N6
Title of publication	Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.
Authors of publication	Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	13
Pages of publication	3548 - 3553
a	9.3498 ± 0.0008 Å
b	11.4321 ± 0.001 Å
c	15.5813 ± 0.0014 Å
α	69.242 ± 0.002°
β	84.549 ± 0.002°
γ	77.162 ± 0.002°
Cell volume	1518.2 ± 0.2 Å³
Cell temperature	131 ± 2 K
Ambient diffraction temperature	131 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282285 (current)	2023-04-04	cif/ Updating files of 1568622, 1568623, 1568624, 1568625 Original log message: Adding full bibliography for 1568622--1568625.cif.	1568622.cif
281752	2023-03-09	cif/ Adding structures of 1568622, 1568623, 1568624, 1568625 via cif-deposit CGI script.	1568622.cif