Crystallography Open Database

Information card for entry 7041177

Preview

Coordinates	7041177.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 7
Chemical name	Compound 7
Formula	C68 H88 F24 N2 O6 Sn2
Calculated formula	C68 H88 F24 N2 O6 Sn2
SMILES	c12c(cccc2)C(C(F)(F)F)(C(F)(F)F)O[Sn]21(OC(c1c2cccc1)(C(F)(F)F)C(F)(F)F)[Sn]12(c3ccccc3C(C(F)(F)F)(C(F)(F)F)O1)OC(c1c2cccc1)(C(F)(F)F)C(F)(F)F.[N+](CCCC)(CCCC)(CCCC)CCCC.O.[N+](CCCC)(CCCC)(CCCC)CCCC.O
Title of publication	The synthesis and structure of a dianionic species with a bond between pentacoordinated tin atoms: bonding properties of the tin-tin bond.
Authors of publication	Tsukada, Satoru; O'Brien, Nathan J; Kano, Naokazu; Kawashima, Takayuki; Guo, Jing-Dong; Nagase, Shigeru
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	48
Pages of publication	19374 - 19379
a	20.2864 ± 0.0003 Å
b	20.2864 ± 0.0003 Å
c	36.4947 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	15019 ± 0.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.2323
Weighted residual factors for all reflections included in the refinement	0.2334
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
190137 (current)	2017-01-09	cif/ Updating files of 7041177 Original log message: Adding full bibliography for 7041177.cif.	7041177.cif
188402	2016-11-12	cif/ Adding structures of 7041177 via cif-deposit CGI script.	7041177.cif