Crystallography Open Database

Information card for entry 4301111

Preview

Coordinates	4301111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H41 F N2 Sn
Calculated formula	C29 H41 F N2 Sn
SMILES	[Sn]1(F)N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C
Title of publication	Facile Access of Stable Divalent Tin Compounds with Terminal Methyl, Amide, Fluoride, and Iodide Substituents
Authors of publication	Herbert W. Roesky; Anukul Jana; Carola Schulzke; Alexander Döring; Tobias Beck; Aritra Pal; Regine Herbst-Irmer
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	193 - 197
a	9.0047 ± 0.0018 Å
b	9.6328 ± 0.0019 Å
c	32.308 ± 0.006 Å
α	90°
β	89.92 ± 0.03°
γ	90°
Cell volume	2802.4 ± 0.9 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
179049 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/11.	4301111.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4301111.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301111.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301111.cif