Crystallography Open Database

Information card for entry 4329638

Preview

Coordinates	4329638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H71 F12 N4 O24 S4 Sn2
Calculated formula	C40 H71 F12 N4 O24 S4 Sn2
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	12.7912 ± 0.0012 Å
b	30.622 ± 0.003 Å
c	18.8561 ± 0.0014 Å
α	90°
β	125.4 ± 0.005°
γ	90°
Cell volume	6020.4 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1004
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4329638.cif
78695	2013-04-02	cif/ Adding structures of 4329638 via cif-deposit CGI script.	4329638.cif