Crystallography Open Database

Information card for entry 4085476

Preview

Coordinates	4085476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 N4 O Sn2
Calculated formula	C24 H36 N4 O Sn2
SMILES	[Sn]12[NH]([Sn]3[NH]2c2c(N3C(C)(C)C)cccc2)c2c(N1C(C)(C)C)cccc2.O1CCCC1
Title of publication	Protic N-Heterocyclic Germylenes and Stannylenes: Synthesis and Reactivity
Authors of publication	Krupski, Sergei; Schulte to Brinke, Christian; Koppetz, Hannah; Hepp, Alexander; Hahn, F. Ekkehardt
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2624
a	9.4975 ± 0.0002 Å
b	12.3583 ± 0.0003 Å
c	12.6182 ± 0.0003 Å
α	72.831 ± 0.001°
β	68.39 ± 0.001°
γ	69.731 ± 0.001°
Cell volume	1267.6 ± 0.05 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0155
Residual factor for significantly intense reflections	0.0146
Weighted residual factors for significantly intense reflections	0.0377
Weighted residual factors for all reflections included in the refinement	0.0383
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178743 (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 4/08/54.	4085476.cif
154755	2015-09-06	cif/ Updating files of 4085475, 4085476, 4085477 Original log message: Adding full bibliography for 4085475--4085477.cif.	4085476.cif
131608	2015-02-10	cif/ Adding structures of 4085475, 4085476, 4085477 via cif-deposit CGI script.	4085476.cif