Crystallography Open Database

Information card for entry 4088864

Preview

Coordinates	4088864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H58 F4 N2 Sn4
Calculated formula	C48 H58 F4 N2 Sn4
SMILES	C1CC[N](C)(C)[Sn]21(c1ccccc1)C[Sn]([F][Sn]1(C[Sn]([F]2)(F)(c2ccccc2)c2ccccc2)(CCC[N]1(C)C)c1ccccc1)(F)(c1ccccc1)c1ccccc1
Title of publication	Unsymmetrical Bicentric Organotin Lewis Acids {Me2N(CH2)3}Ph(X)Sn(CH2)nSnPh2X (X = F, I; n = 1, 3): Syntheses and Structures
Authors of publication	Alashkar, Nour; Dietz, Christina; Baba Haj, Samer; Hiller, Wolf; Jurkschat, Klaus
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	16
Pages of publication	2738
a	12.5326 ± 0.0006 Å
b	11.0605 ± 0.0005 Å
c	16.8003 ± 0.0008 Å
α	90°
β	94.893 ± 0.004°
γ	90°
Cell volume	2320.32 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0364
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.0505
Goodness-of-fit parameter for all reflections included in the refinement	0.904
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
237862 (current)	2019-11-24	cif/ Adding structures of 4088862, 4088863, 4088864, 4088865 via cif-deposit CGI script.	4088864.cif