Crystallography Open Database

Information card for entry 7702900

Preview

Coordinates	7702900.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dichloro(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)scandium(III) tetrachloroferrate
Formula	C12 H24 Cl6 Fe O4 S2 Sc
Calculated formula	C12 H19.2 Cl6 Fe O4 S2 Sc
Title of publication	Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.
Authors of publication	Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	36
Pages of publication	13179 - 13189
a	16.15 ± 0.004 Å
b	64.37 ± 0.008 Å
c	11.3327 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	11781 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	39
Hermann-Mauguin space group symbol	A e m 2
Hall space group symbol	A 2 -2b
Residual factor for all reflections	0.1288
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for significantly intense reflections	0.2292
Weighted residual factors for all reflections included in the refinement	0.2517
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
244416 (current)	2019-11-28	cif/ Adding structures of 7702892, 7702893, 7702894, 7702895, 7702896, 7702897, 7702898, 7702899, 7702900, 7702901, 7702902, 7702903 via cif-deposit CGI script.	7702900.cif