Crystallography Open Database

Information card for entry 7049506

Preview

Coordinates	7049506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72.93 H79.63 Al2 Li2 N6 O2
Calculated formula	C72.928 H79.632 Al2 Li2 N6 O2
Title of publication	Deprotonation, insertion and isomerisation in the post-functionalisation of tris-pyridyl aluminates.
Authors of publication	Plajer, Alex J.; Kopf, Sara; Colebatch, Annie L.; Bond, Andrew D.; Wright, Dominic S.; García-Rodríguez, Raúl
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	17
Pages of publication	5692 - 5697
a	10.7764 ± 0.0004 Å
b	11.6195 ± 0.0004 Å
c	15.5555 ± 0.0006 Å
α	72.5308 ± 0.0019°
β	75.6187 ± 0.0018°
γ	68.8699 ± 0.0016°
Cell volume	1711.41 ± 0.11 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1169
Residual factor for significantly intense reflections	0.1029
Weighted residual factors for significantly intense reflections	0.2911
Weighted residual factors for all reflections included in the refinement	0.3055
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224107 (current)	2019-11-07	cif/ Updating files of 7049506, 7049507, 7049508, 7049509 Original log message: Adding full bibliography for 7049506--7049509.cif.	7049506.cif
214390	2019-03-28	cif/ Adding structures of 7049506, 7049507, 7049508, 7049509 via cif-deposit CGI script.	7049506.cif