Crystallography Open Database

Information card for entry 4084818

Preview

Coordinates	4084818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H44 N2 Sn
Calculated formula	C38 H44 N2 Sn
SMILES	[Sn]12([N](c3c(C(C)C)cccc3C(C)C)=Cc3c2cccc3)[N](=Cc2c1cccc2)c1c(C(C)C)cccc1C(C)C
Title of publication	Intramolecularly C,N-Coordinated Homo- and Heteroleptic Organostannylenes
Authors of publication	Novák, Miroslav; Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	23
Pages of publication	6778
a	11.21 ± 0.0008 Å
b	11.823 ± 0.0009 Å
c	26.1971 ± 0.0018 Å
α	90°
β	105.038 ± 0.006°
γ	90°
Cell volume	3353.2 ± 0.4 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
178737 (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 4/08/48.	4084818.cif
131486	2015-02-08	cif/ Updating files of 4084816, 4084817, 4084818, 4084819, 4084820 Original log message: Adding full bibliography for 4084816--4084820.cif.	4084818.cif
127749	2014-11-21	cif/ Adding structures of 4084816, 4084817, 4084818, 4084819, 4084820 via cif-deposit CGI script.	4084818.cif