Crystallography Open Database

Information card for entry 7702893

Preview

Coordinates	7702893.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	acetonitrile-1,4,7,10,13,16-hexaoxacyclooctadecane-diiodolanthanum(III) iodide acetonitrile solvate
Formula	C15 H28.5 I3 La N1.5 O6
Calculated formula	C15 H28.5 I3 La N1.5 O6
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	8.1091 ± 0.0011 Å
b	21.599 ± 0.003 Å
c	29.15 ± 0.004 Å
α	90°
β	91.469 ± 0.003°
γ	90°
Cell volume	5103.9 ± 1.2 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	0.0354
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.0541
Goodness-of-fit parameter for all reflections included in the refinement	0.884
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.	7702893.cif