Crystallography Open Database

Information card for entry 7015500

Preview

Coordinates	7015500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H106 N12 O2 Si4 Sm2
Calculated formula	C47 H82 N12 O2 Si4 Sm2
Title of publication	Heteroscorpionate rare-earth initiators for the controlled ring-opening polymerization of cyclic esters.
Authors of publication	Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Alonso-Moreno, Carlos; Márquez-Segovia, Isabel; Sánchez-Barba, Luis F; Castro-Osma, José A; Rodríguez, Ana M
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	17
Pages of publication	4687 - 4696
a	12.639 ± 0.006 Å
b	26.133 ± 0.013 Å
c	19.332 ± 0.009 Å
α	90°
β	94.835 ± 0.007°
γ	90°
Cell volume	6363 ± 5 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 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	0.163
Residual factor for significantly intense reflections	0.0888
Weighted residual factors for significantly intense reflections	0.1973
Weighted residual factors for all reflections included in the refinement	0.2311
Goodness-of-fit parameter for all reflections included in the refinement	0.936
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
179859 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55.	7015500.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015500.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015500.cif
21175	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015499, 7015500 via cif-deposit CGI script.	7015500.cif