Crystallography Open Database

Information card for entry 4329637

Preview

Coordinates	4329637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 Br4 N2 O6 Sn2
Calculated formula	C18 H36 Br4 N2 O6 Sn2
SMILES	[Sn](Br)(Br)[Br-].O1CCOCCN2CCOCCOCCN(CC1)CC[O]1CC[O]([Sn]1Br)CC2
Title of publication	Cationic Cryptand Complexes of Tin(II)
Authors of publication	Jessica C. Avery; Margaret A. Hanson; Rolfe H. Herber; Kamila J. Bladek; Paul A. Rupar; Israel Nowik; Yining Huang; Kim M. Baines
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7306 - 7316
a	8.4816 ± 0.0017 Å
b	11.541 ± 0.002 Å
c	14.656 ± 0.003 Å
α	90°
β	90.21 ± 0.03°
γ	90°
Cell volume	1434.6 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0416
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4329637.cif
78694	2013-04-02	cif/ Adding structures of 4329637 via cif-deposit CGI script.	4329637.cif