Crystallography Open Database

Information card for entry 4003633

Preview

Coordinates	4003633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H78 F6 O8 Sb
Calculated formula	C72 H78 F6 O8 Sb
Title of publication	Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity
Authors of publication	Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing
Journal of publication	Chemistry of Materials
Year of publication	2020
Journal volume	32
Journal issue	14
Pages of publication	5927 - 5936
a	18.2924 ± 0.0007 Å
b	23.5585 ± 0.0008 Å
c	59.258 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	25536.7 ± 1.6 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.02 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1524
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2448
Weighted residual factors for all reflections included in the refinement	0.2937
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
257103 (current)	2020-10-04	cif/ Updating files of 4003630, 4003631, 4003632, 4003633, 4003634 Original log message: Adding full bibliography for 4003630--4003634.cif.	4003633.cif
254769	2020-08-04	cif/ Updating files of 4003630, 4003631, 4003632, 4003633, 4003634 Original log message: Adding full bibliography for 4003630--4003634.cif.	4003633.cif
254351	2020-07-17	cif/ Adding structures of 4003633 via cif-deposit CGI script.	4003633.cif