Crystallography Open Database

Information card for entry 4077997

Preview

Coordinates	4077997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Br Cl Sn
Calculated formula	C24 H18 Br Cl Sn
SMILES	[Sn](Cl)(c1ccc2c3c(ccc(Br)c13)CC2)(c1ccccc1)c1ccccc1
Title of publication	Sterically Crowded Tin Acenaphthenes
Authors of publication	Lechner, Marie-Luise; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Knight, Fergus R.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	7
Pages of publication	2922
a	9.127 ± 0.002 Å
b	16.587 ± 0.004 Å
c	14.9 ± 0.003 Å
α	90°
β	93.06 ± 0.013°
γ	90°
Cell volume	2252.5 ± 0.9 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 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 significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.253
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178668 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/79.	4077997.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077997.cif
57663	2012-05-18	cif/ Adding structures of 4077996, 4077997, 4077998, 4077999, 4078000, 4078001, 4078002 via cif-deposit CGI script.	4077997.cif