Crystallography Open Database

Information card for entry 7702896

Preview

Coordinates	7702896.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	diaqua-iodo-(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)-lanthanum(III) iodide hydrate
Formula	C12 H30 I3 La O7 S2
Calculated formula	C12 H24 I3 La O7 S2
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	8.5208 ± 0.0016 Å
b	20.401 ± 0.004 Å
c	14.616 ± 0.003 Å
α	90°
β	106.278 ± 0.003°
γ	90°
Cell volume	2438.9 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.069
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1747
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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.	7702896.cif