Crystallography Open Database

Information card for entry 4117083

Preview

Coordinates	4117083.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(2,2'-biphenylylene)sulfuranyl bis(tetrafluoroborate)
Formula	C36 H24 B3 F12 O1.33 S1.5
Calculated formula	C36 H24 B2.5 F12.06 O1.34 S1.25
Title of publication	First Isolation and Molecular Structure of Bis(2,2'-biphenylylene)sulfuranyl Bis(tetrafluoroborate) [8-S-4(C4)]2+
Authors of publication	Soichi Sato; Hitomi Ameta; Ernst Horn; Ohgi Takahashi; Naomichi Furukawa
Journal of publication	Journal of the American Chemical Society
Year of publication	1997
Journal volume	119
Pages of publication	12374 - 12375
a	15.335 ± 0.005 Å
b	20.333 ± 0.007 Å
c	23.562 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7347 ± 4 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.0833
Goodness-of-fit parameter for significantly intense reflections	2.096
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4117083.cif
73513	2013-02-20	cif/ Adding structures of 4117083 via cif-deposit CGI script.	4117083.cif