Crystallography Open Database

Information card for entry 4065585

Preview

Coordinates	4065585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 F5 N2 Sn
Calculated formula	C35 H41 F5 N2 Sn
SMILES	[Sn]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Reaction of Tin(II) Hydride with Compounds Containing Aromatic C−F Bonds†
Authors of publication	Jana, Anukul; Roesky, Herbert W.; Schulzke, Carola; Samuel, Prinson P.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	4837
a	13.351 ± 0.003 Å
b	18.698 ± 0.004 Å
c	13.566 ± 0.003 Å
α	90°
β	102.84 ± 0.03°
γ	90°
Cell volume	3301.9 ± 1.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 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 all reflections	0.0244
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
178548 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/55.	4065585.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065585.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065585.cif
33609	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065584, 4065585 via cif-deposit CGI script.	4065585.cif