Crystallography Open Database

Information card for entry 1504441

Preview

Coordinates	1504441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H64 N3 O P2 S2 Si2 Y
Calculated formula	C28 H64 N3 O P2 S2 Si2 Y
SMILES	[Y]123(SP(=[N]1[C@H]1CCCC[C@@H]1[N]2=P(S3)(C(C)C)C(C)C)(C(C)C)C(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1.[Y]123(SP(=[N]1[C@@H]1CCCC[C@H]1[N]2=P(S3)(C(C)C)C(C)C)(C(C)C)C(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1
Title of publication	A Series of Bis(thiophosphinic amido)yttrium Initiators for Lactide Ring-Opening Polymerization
Authors of publication	Hodgson, Linda M.; Platel, Rachel H.; White, Andrew J. P.; Williams, Charlotte K.
Journal of publication	Macromolecules
Year of publication	2008
Journal volume	41
Journal issue	22
Pages of publication	8603
a	18.0407 ± 0.0006 Å
b	10.65 ± 0.0004 Å
c	20.3838 ± 0.0008 Å
α	90°
β	100.558 ± 0.003°
γ	90°
Cell volume	3850.1 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.1001
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1559
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504441.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504441.cif
42054	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504441 via cif-deposit CGI script.	1504441.cif