Crystallography Open Database

Information card for entry 2311414

Preview

Coordinates	2311414.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(<i>N</i>,<i>N</i>'-diisopropylamidinatocarboranate)chloridotin(IV)
Formula	C18 H49 B20 Cl N4 Sn
Calculated formula	C18 H49 B20 Cl N4 Sn
SMILES	[C]12345[C]678([BH]9%102[BH]2%115[BH]5%124[BH]436[BH]367[BH]789[BH]8%102[BH]267[BH]543[BH]%11%1282)[Sn]2([C]3456[C]789(C(=[N]2C(C)C)NC(C)C)[BH]2%103[BH]3%117[BH]7%12%10[BH]%1042[BH]245[BH]569[BH]683[BH]3%11%12[BH]7%102[BH]4563)(Cl)N(C\1=N\C(C)C)C(C)C
Title of publication	Synthesis and crystal structures of two new tin bis-(carboranylamidinate) complexes.
Authors of publication	Harmgarth, Nicole; Liebing, Phil; Hillebrand, Philipp; Busse, Sabine; Edelmann, Frank T.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 10
Pages of publication	1443 - 1448
a	11.3063 ± 0.0004 Å
b	13.4631 ± 0.0004 Å
c	13.7953 ± 0.0004 Å
α	97.078 ± 0.002°
β	106.572 ± 0.002°
γ	113.377 ± 0.002°
Cell volume	1779.52 ± 0.11 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
245866 (current)	2019-12-25	cif/ Adding structures of 2311413, 2311414 via cif-deposit CGI script.	2311414.cif