Crystallography Open Database

Information card for entry 1568623

Preview

Coordinates	1568623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H80 B2 F6 N6 Sb
Calculated formula	C62 H79.12 B2 F6 N6 Sb
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	9.7065 ± 0.001 Å
b	10.4206 ± 0.0011 Å
c	16.6116 ± 0.0017 Å
α	73.769 ± 0.004°
β	73.502 ± 0.004°
γ	79.487 ± 0.004°
Cell volume	1537.1 ± 0.3 Å³
Cell temperature	138 ± 2 K
Ambient diffraction temperature	138 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1782
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
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.	1568623.cif
281752	2023-03-09	cif/ Adding structures of 1568622, 1568623, 1568624, 1568625 via cif-deposit CGI script.	1568623.cif