Crystallography Open Database

Information card for entry 1529394

Preview

Coordinates	1529394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H130 N4 O6 Si4 Y2
Calculated formula	C96 H130 N4 O6 Si4 Y2
SMILES	[Y]1234(Oc5c(C[N]4(Cc4c([O]2[Y]267([O]1c1c(cc(C)cc1C[N]7(Cc1c(O2)c(cc(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)CC[O]6C)C)N([SiH](C)C)[SiH](C)C)c(cc(c4)C)C)CC[O]3C)cc(cc5C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)N([SiH](C)C)[SiH](C)C.c1(ccccc1)C.c1(ccccc1)C
Title of publication	Stereospecific catalytic precision polymerization of 2-vinylpyridine via rare earth metal-mediated group transfer polymerization with 2-methoxyethylamino-bis(phenolate)-yttrium complexes
Authors of publication	Altenbuchner, P. T.; Adams, F.; Kronast, A.; Herdtweck, E.; Pöthig, A.; Rieger, B.
Journal of publication	Polym. Chem.
Year of publication	2015
Journal volume	6
Journal issue	38
Pages of publication	6796
a	10.7741 ± 0.0003 Å
b	13.3826 ± 0.0004 Å
c	16.275 ± 0.0005 Å
α	82.3193 ± 0.0016°
β	83.5313 ± 0.0013°
γ	77.923 ± 0.0013°
Cell volume	2265.39 ± 0.12 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0479
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
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
162233 (current)	2015-10-09	cif/ Updating files of 1529394 Original log message: Adding full bibliography for 1529394.cif.	1529394.cif
153421	2015-08-14	cif/ Adding structures of 1529394 via cif-deposit CGI script.	1529394.cif