Crystallography Open Database

Information card for entry 2311359

Preview

Coordinates	2311359.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dimethylbis[2,4-pentanedionato(1-)-κ^2^<i>O</i>^2^,<i>O</i>^4^]tin(IV)
Formula	C12 H20 O4 Sn
Calculated formula	C12 H20 O4 Sn
SMILES	C1(=CC(=[O][Sn]2([O]=C(C)C=C(O2)C)(O1)(C)C)C)C
Title of publication	Redetermination of the crystal structure of di-methyl-bis-[2,4-penta-nedionato(1-)-κ<sup>2</sup><i>O</i><sup>2</sup>,<i>O</i><sup>4</sup>]tin(IV).
Authors of publication	Reuter, Hans; Reichelt, Martin
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 4
Pages of publication	472 - 475
a	6.7693 ± 0.0004 Å
b	13.8357 ± 0.0007 Å
c	7.6661 ± 0.0004 Å
α	90°
β	104.709 ± 0.002°
γ	90°
Cell volume	694.46 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0162
Residual factor for significantly intense reflections	0.0129
Weighted residual factors for significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.0336
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
245823 (current)	2019-12-25	cif/ Adding structures of 2311359 via cif-deposit CGI script.	2311359.cif