Crystallography Open Database

Information card for entry 1568625

Preview

Coordinates	1568625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H96 Al2 B2 F72 N6 O8
Calculated formula	C108 H96 Al2 B2 F72 N6 O8
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	24.71 ± 0.0012 Å
b	21.2756 ± 0.001 Å
c	24.7191 ± 0.0012 Å
α	90°
β	98.219 ± 0.002°
γ	90°
Cell volume	12861.9 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1491
Residual factor for significantly intense reflections	0.1444
Weighted residual factors for significantly intense reflections	0.3288
Weighted residual factors for all reflections included in the refinement	0.3316
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	1568625.cif
281752	2023-03-09	cif/ Adding structures of 1568622, 1568623, 1568624, 1568625 via cif-deposit CGI script.	1568625.cif