Crystallography Open Database

Information card for entry 7019306

7019305 << 7019306 >> 7019307

Preview

Coordinates	7019306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H27 Cl6 N3 Sn
Calculated formula	C34 H27 Cl6 N3 Sn
SMILES	[Sn]1([N]2=C3C(=[N]1c1c(CCc4nc(CCc5c2cccc5)ccc4)cccc1)c1c2c3cccc2ccc1)(Cl)(Cl)(Cl)Cl.ClCCl
Title of publication	Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene "clamshell" ligand.
Authors of publication	Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	7890 - 7896
a	11.498 ± 0.002 Å
b	17.844 ± 0.004 Å
c	18.107 ± 0.006 Å
α	90°
β	113.49 ± 0.02°
γ	90°
Cell volume	3407.2 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0728
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.1808
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7019306.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019306.cif
62836	2012-07-09	cif/ Adding structures of 7019306, 7019307, 7019308, 7019309, 7019310, 7019311, 7019312, 7019313 via cif-deposit CGI script.	7019306.cif