Crystallography Open Database

Information card for entry 7033398

Preview

Coordinates	7033398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H45 N5 S
Calculated formula	C30 H45 N5 S
Title of publication	Catalytic behaviour in the ring-opening polymerisation of organoaluminiums supported by bulky heteroscorpionate ligands.
Authors of publication	Castro-Osma, Jose A; Alonso-Moreno, Carlos; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	27
Pages of publication	12388 - 12400
a	12.723 ± 0.004 Å
b	13.524 ± 0.004 Å
c	19.049 ± 0.006 Å
α	90°
β	100.062 ± 0.004°
γ	90°
Cell volume	3227.3 ± 1.7 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	4
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	0.1136
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.208
Weighted residual factors for all reflections included in the refinement	0.2392
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180039 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33.	7033398.cif
143649	2015-07-11	cif/ Updating files of 7033398, 7033399, 7033400 Original log message: Adding full bibliography for 7033398--7033400.cif.	7033398.cif
128568	2014-12-13	cif/ Adding structures of 7033398, 7033399, 7033400 via cif-deposit CGI script.	7033398.cif