Crystallography Open Database

Information card for entry 7046392

Preview

Coordinates	7046392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H130 Al2 N4 O6
Calculated formula	C98 H130 Al2 N4 O6
Title of publication	Highly active aluminium catalysts for room temperature ring-opening polymerisation of rac-lactide.
Authors of publication	Gesslbauer, S.; Cheek, H.; White, A. J. P.; Romain, C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	31
Pages of publication	10410 - 10414
a	13.4292 ± 0.0004 Å
b	15.4213 ± 0.0004 Å
c	22.2668 ± 0.0005 Å
α	90°
β	93.35 ± 0.002°
γ	90°
Cell volume	4603.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0767
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
229825 (current)	2019-11-17	cif/ Updating files of 7046390, 7046391, 7046392 Original log message: Adding full bibliography for 7046390--7046392.cif.	7046392.cif
207829	2018-05-17	cif/ Adding structures of 7046390, 7046391, 7046392 via cif-deposit CGI script.	7046392.cif