Crystallography Open Database

Information card for entry 4338857

Preview

Coordinates	4338857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 N3 O S Sn
Calculated formula	C9 H13 N3 O S Sn
SMILES	[Sn](O/N=C(c1scc(n1)C)\C#N)(C)(C)C
Title of publication	Tin(IV) cyanoximates: synthesis, characterization, and cytotoxicity.
Authors of publication	Gerasimchuk, Nikolay; Maher, Tiffany; Durham, Paul; Domasevitch, Konstantin V.; Wilking, Janet; Mokhir, Andrew
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	18
Pages of publication	7268 - 7284
a	8.295 ± 0.002 Å
b	7.332 ± 0.001 Å
c	11.095 ± 0.002 Å
α	90°
β	100.12 ± 0.03°
γ	90°
Cell volume	664.3 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
179491 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/88.	4338857.cif
116968	2014-06-14	cif/ Adding structures of 4338857 via cif-deposit CGI script.	4338857.cif