Crystallography Open Database

Information card for entry 2243260

Preview

Coordinates	2243260.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(μ-1κ<i>N</i>:2(η^2^),κ^2^<i>N</i>,<i>N</i>'-(2-{[2,6-Bis(propan-2-yl)\ phenyl]azanidyl}ethyl)[2-(1<i>H</i>-inden-1-yl)ethyl]azanido)(1,4,7,10,13,16-\ hexaoxacyclooctadecane-1κ^6^<i>O</i>)lithiumtin
Formula	C33 H47 Li N2 O4 Sn
Calculated formula	C33 H47 Li N2 O4 Sn
SMILES	[Sn]123[N](CC[c]42c2c(c[cH]43)cccc2)(CCN1c1c(cccc1C(C)C)C(C)C)[Li]123[O]4CC[O]1CC[O]2CC[O]3CC4
Title of publication	An indenide-tethered N-heterocyclic stannylene
Authors of publication	Bischof, Tobias; Evans, Kieren J.; Haddow, Mairi F.; Mansell, Stephen M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	2
Pages of publication	254 - 256
a	9.9766 ± 0.0008 Å
b	17.7991 ± 0.0014 Å
c	18.8402 ± 0.0014 Å
α	90°
β	95.51 ± 0.004°
γ	90°
Cell volume	3330.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
247083 (current)	2020-01-22	cif/ Adding structures of 2243260 via cif-deposit CGI script.	2243260.cif