Crystallography Open Database

Information card for entry 4346986

Preview

Coordinates	4346986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 B4 F24 N2 O6 Sn
Calculated formula	C44 H32 B4 F24 N2 O6 Sn
SMILES	[Sn]123(OB(OB(O2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(OB(OB(O1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[N](Cc1c3c(ccc1)C[NH+](C)C)(C)C
Title of publication	N→Sn-Coordinated Stannaoxidoborates Containing a SnB4O6 Unit.
Authors of publication	Mairychová, Barbora; Kityk, I. V.; Maciag, Artur; Bureš, Filip; Klikar, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	4
Pages of publication	1587 - 1594
a	11.932 ± 0.001 Å
b	12.811 ± 0.0004 Å
c	18.6821 ± 0.0014 Å
α	98.795 ± 0.004°
β	95.177 ± 0.005°
γ	114.518 ± 0.005°
Cell volume	2529.9 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.186
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232091 (current)	2019-11-23	cif/ Adding structures of 4346984, 4346985, 4346986 via cif-deposit CGI script.	4346986.cif