Crystallography Open Database

Information card for entry 4084820

Preview

Coordinates	4084820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H44 N2 O5 Sn W
Calculated formula	C43 H44 N2 O5 Sn W
SMILES	[W]([Sn]12([N](=Cc3c1cccc3)c1c(cccc1C(C)C)C(C)C)[N](c1c(cccc1C(C)C)C(C)C)=Cc1c2cccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
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	14.293 ± 0.0012 Å
b	17.7981 ± 0.0013 Å
c	31.814 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	8093.1 ± 1 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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.	4084820.cif
131486	2015-02-08	cif/ Updating files of 4084816, 4084817, 4084818, 4084819, 4084820 Original log message: Adding full bibliography for 4084816--4084820.cif.	4084820.cif
127749	2014-11-21	cif/ Adding structures of 4084816, 4084817, 4084818, 4084819, 4084820 via cif-deposit CGI script.	4084820.cif