Crystallography Open Database

Information card for entry 7225851

Preview

Coordinates	7225851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 Cl N2 O2 Sn2
Calculated formula	C12 H19 Cl N2 O2 Sn2
Title of publication	Vibrational dynamics (IR, Raman, NRVS) and a DFT study of a new antitumor tetranuclearstannoxane cluster, Sn(iv)-oxo-{di-o-vanillin} dimethyl dichloride.
Authors of publication	Arjmand, F.; Sharma, S.; Usman, M.; Leu, B. M.; Hu, M. Y.; Toupet, L.; Gosztola, D.; Tabassum, S.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2016
Journal volume	18
Journal issue	27
Pages of publication	17805 - 17809
a	7.5613 ± 0.0002 Å
b	18.8087 ± 0.0003 Å
c	11.8932 ± 0.0002 Å
α	90°
β	104.691 ± 0.002°
γ	90°
Cell volume	1636.13 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185668 (current)	2016-08-07	cif/ Updating files of 7225851 Original log message: Adding full bibliography for 7225851.cif.	7225851.cif
184277	2016-07-07	cif/ Adding structures of 7225851 via cif-deposit CGI script.	7225851.cif