Crystallography Open Database

Information card for entry 7702897

Preview

Coordinates	7702897.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(acetonitrile)aqua(1,4,7,10,13-pentaoxacyclopentadecane)lutetium(III) triiodide
Formula	C14 H28 I3 Lu N2 O6
Calculated formula	C14 H26 I3 Lu N2 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	18.946 ± 0.007 Å
b	11.146 ± 0.004 Å
c	11.901 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2513.2 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7702897.cif