Crystallography Open Database

Information card for entry 4068985

Preview

Coordinates	4068985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H90 N3 O3 Si2 Y
Calculated formula	C70 H90 N3 O3 Si2 Y
SMILES	[Y]12(OC(=[N]2c2c(cccc2C(C)C)C(C)C)c2c3c(cccc3)ccc2)(OC(=[N]1c1c(C(C)C)cccc1C(C)C)c1c2ccccc2ccc1)([O]1CCCC1)N([Si](C)(C)C)[Si](C)(C)C.c1ccc(C)cc1.c1ccc(cc1)C
Title of publication	Bis- and Mono(amidate) Complexes of Yttrium: Synthesis, Characterization, and Use as Precatalysts for the Hydroamination of Aminoalkenes
Authors of publication	Stanlake, Louisa J. E.; Schafer, Laurel L.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	14
Pages of publication	3990
a	13.2111 ± 0.0008 Å
b	20.102 ± 0.0014 Å
c	24.9192 ± 0.0017 Å
α	90°
β	101.524 ± 0.002°
γ	90°
Cell volume	6484.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
178579 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89.	4068985.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068985.cif
40075	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068985 via cif-deposit CGI script.	4068985.cif