Crystallography Open Database

Information card for entry 7015499

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Coordinates	7015499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H90 N12 Nd2 O2 Si4
Calculated formula	C62 H90 N12 Nd2 O2 Si4
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	11.7654 ± 0.0009 Å
b	25.9552 ± 0.0018 Å
c	13.4362 ± 0.0009 Å
α	90°
β	110.883 ± 0.001°
γ	90°
Cell volume	3833.5 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1
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
179858 (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 7/01/54.	7015499.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015499.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015499.cif
21175	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015499, 7015500 via cif-deposit CGI script.	7015499.cif