Crystallography Open Database

Information card for entry 4085575

Preview

Coordinates	4085575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 N2 Sn
Calculated formula	C26 H36 N2 Sn
Title of publication	Aromaticity of an Unsaturated N-Heterocyclic Stannylene (HCRN)2SnIIAs Studied by Optical Spectra and Quantum Chemistry. Comparison in the Series (HCRN)2EII, E = C, Si, Ge, Sn (R =t-Bu or Dip)
Authors of publication	Leites, Larissa A.; Bukalov, Sergey S.; Aysin, Rinat R.; Piskunov, Alexander V.; Chegerev, Maxim G.; Cherkasov, Vladimir K.; Zabula, Alexander V.; West, Robert
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2278
a	19.996 ± 0.006 Å
b	6.518 ± 0.002 Å
c	20.004 ± 0.005 Å
α	90°
β	103.047 ± 0.011°
γ	90°
Cell volume	2539.9 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085575.cif
140218	2015-07-05	cif/ Updating files of 4085575 Original log message: Adding full bibliography for 4085575.cif.	4085575.cif
132628	2015-03-03	cif/ Adding structures of 4085575 via cif-deposit CGI script.	4085575.cif