Crystallography Open Database

Information card for entry 7047212

Preview

Coordinates	7047212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H92 Al2 N4 O6
Calculated formula	C80 H92 Al2 N4 O6
Title of publication	Low valent Al(ii)-Al(ii) catalysts as highly active ε-caprolactone polymerization catalysts: indication of metal cooperativity through DFT studies.
Authors of publication	Kazarina, Olga V.; Gourlaouen, Christophe; Karmazin, Lydia; Morozov, Alexander G.; Fedushkin, Igor L.; Dagorne, Samuel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	39
Pages of publication	13800 - 13808
a	20.4001 ± 0.0017 Å
b	23.3701 ± 0.0018 Å
c	16.1214 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	7685.9 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1176
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
229499 (current)	2019-11-17	cif/ Updating files of 7047211, 7047212, 7047213 Original log message: Adding full bibliography for 7047211--7047213.cif.	7047212.cif
209385	2018-08-04	cif/ Adding structures of 7047211, 7047212, 7047213 via cif-deposit CGI script.	7047212.cif