Crystallography Open Database

Information card for entry 4088468

Preview

Coordinates	4088468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 Al2 N6 O2
Calculated formula	C24 H38 Al2 N6 O2
SMILES	c1(ccccc1)N1N=[N]2[N]([Al]1([O]1CCCC1)(C)C)=NN(c1ccccc1)[Al]2([O]1CCCC1)(C)C
Title of publication	(MeZn)2(μ-η2:η2-N6Ph2): A Powerful Starting Reagent for the Synthesis of Metal Hexazene Complexes
Authors of publication	Stienen, Christian; Gondzik, Sebastian; Gehlhaar, Alexander; Haack, Rebekka; Wölper, Christoph; Jansen, Georg; Schulz, Stephan
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	7
Pages of publication	1022
a	7.6535 ± 0.0013 Å
b	9.2634 ± 0.0016 Å
c	10.463 ± 0.002 Å
α	113.086 ± 0.009°
β	91.855 ± 0.009°
γ	105.457 ± 0.009°
Cell volume	649.8 ± 0.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.0645
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237596 (current)	2019-11-24	cif/ Adding structures of 4088466, 4088467, 4088468, 4088469 via cif-deposit CGI script.	4088468.cif