Crystallography Open Database

Information card for entry 7702903

Preview

Coordinates	7702903.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(trans-dichloro(1,4,7,10,13,16-hexaoxacyclooctadecane)yttrium(III))- (cis-dichloro(1,4,7,10,13,16-hexaoxacyclooctadecane)yttrium(III)) hexachloro-tri(mu-2-chloro)diyttrium(III) acetonitrile solvate
Formula	C39.3 H76.95 Cl15 N1.65 O18 Y5
Calculated formula	C39.3 H72 Cl15 N1.65 O18 Y5
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	13.174 ± 0.002 Å
b	17.299 ± 0.003 Å
c	18.224 ± 0.004 Å
α	115.694 ± 0.003°
β	95.928 ± 0.005°
γ	91.622 ± 0.001°
Cell volume	3710.1 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1807
Weighted residual factors for all reflections included in the refinement	0.192
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
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.	7702903.cif