Crystallography Open Database

Information card for entry 7036506

Preview

Coordinates	7036506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 F12 N O3 S2 Si2 Y
Calculated formula	C22 H30 F12 N O3 S2 Si2 Y
SMILES	[Y]123([S](c4ccccc4[S]1CC(O3)(C(F)(F)F)C(F)(F)F)CC(O2)(C(F)(F)F)C(F)(F)F)(N([SiH](C)C)[SiH](C)C)[O]1CCCC1
Title of publication	Yttrium and aluminium complexes bearing dithiodiolate ligands: synthesis and application in cyclic ester polymerization.
Authors of publication	Meduri, A.; Cozzolino, M.; Milione, S.; Press, K.; Sergeeva, E.; Tedesco, C.; Mazzeo, M.; Lamberti, M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	41
Pages of publication	17990 - 18000
a	10.584 ± 0.009 Å
b	10.661 ± 0.009 Å
c	14.958 ± 0.011 Å
α	91.476 ± 0.018°
β	95.111 ± 0.019°
γ	104.21 ± 0.03°
Cell volume	1628 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1098
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.2132
Weighted residual factors for all reflections included in the refinement	0.244
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
171184 (current)	2015-12-09	cif/ Updating files of 7036506 Original log message: Adding full bibliography for 7036506.cif.	7036506.cif
156312	2015-09-15	cif/ Adding structures of 7036506 via cif-deposit CGI script.	7036506.cif