Crystallography Open Database

Information card for entry 7130193

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Coordinates	7130193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H87 Cl0 Co2 N7 O5
Calculated formula	C105 H87 Co2 N7 O5
Title of publication	A persistent radical anion derived from a propeller-shaped perylene bisimide-carbazole pentad
Authors of publication	Wang, Zhaolong; Gou, Xinyu; Wang, Gang; Chang, Xingmao; Liu, Ke; Liu, Taihong; He, Gang; Fang, Yu
Journal of publication	Chemical Communications
Year of publication	2022
a	18.044 ± 0.01 Å
b	32.231 ± 0.019 Å
c	16.8 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	9770 ± 9 Å³
Cell temperature	235 ± 2 K
Ambient diffraction temperature	235 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.2599
Residual factor for significantly intense reflections	0.0911
Weighted residual factors for significantly intense reflections	0.2116
Weighted residual factors for all reflections included in the refinement	0.2967
Goodness-of-fit parameter for all reflections included in the refinement	0.901
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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