Crystallography Open Database

Information card for entry 7121122

Preview

Coordinates	7121122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H81 As B F24
Calculated formula	C77 H81 As B F24
Title of publication	Syntheses, structures and theoretical calculations of stable triarylarsine radical cations.
Authors of publication	Li, Tao; Tan, Gengwen; Cheng, Cheng; Zhao, Yue; Zhang, Li; Wang, Xinping
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	12
Pages of publication	1493 - 1496
a	14.3468 ± 0.0012 Å
b	16.7636 ± 0.0014 Å
c	18.1282 ± 0.0016 Å
α	73.207 ± 0.003°
β	87.244 ± 0.002°
γ	68.719 ± 0.002°
Cell volume	3881.5 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228603 (current)	2019-11-17	cif/ Updating files of 7121122, 7121123 Original log message: Adding full bibliography for 7121122--7121123.cif.	7121122.cif
205009	2018-01-10	cif/ Adding structures of 7121122, 7121123 via cif-deposit CGI script.	7121122.cif