Crystallography Open Database

Information card for entry 4089388

Preview

Coordinates	4089388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H107 Li2 N6 O2
Calculated formula	C84 H107 Li2 N6 O2
Title of publication	Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone
Authors of publication	Bakthavachalam, K.; Reddy, N. Dastagiri
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	11
Pages of publication	3174
a	17.1427 ± 0.0004 Å
b	22.4342 ± 0.0006 Å
c	22.7189 ± 0.0005 Å
α	116.52 ± 0.002°
β	92.559 ± 0.002°
γ	95.229 ± 0.002°
Cell volume	7749.6 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.122
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1909
Weighted residual factors for all reflections included in the refinement	0.2323
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
243627 (current)	2019-11-26	cif/ Adding structures of 4089384, 4089385, 4089386, 4089387, 4089388, 4089389, 4089390, 4089391, 4089392, 4089393 via cif-deposit CGI script.	4089388.cif