Crystallography Open Database

Information card for entry 7705217

Preview

Coordinates	7705217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 B10 F8 S2
Calculated formula	C26 H20 B10 F8 S2
Title of publication	Bis(pentafluorophenyl)-o-carborane and its arylthio derivatives: synthesis, electrochemistry and optical properties.
Authors of publication	Shida, Naoki; Owaki, Satoshi; Eguchi, Hiroshi; Nishikawa, Takanobu; Tomita, Ikuyoshi; Inagi, Shinsuke
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	37
Pages of publication	12985 - 12989
a	28.3905 ± 0.0012 Å
b	7.0545 ± 0.0004 Å
c	28.8336 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	5774.8 ± 0.5 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1312
Residual factor for significantly intense reflections	0.1171
Weighted residual factors for significantly intense reflections	0.3492
Weighted residual factors for all reflections included in the refinement	0.3603
Goodness-of-fit parameter for all reflections included in the refinement	1.459
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257518 (current)	2020-10-06	cif/ Updating files of 7705216, 7705217 Original log message: Adding full bibliography for 7705216--7705217.cif.	7705217.cif
255467	2020-08-20	cif/ Adding structures of 7705217 via cif-deposit CGI script.	7705217.cif