Crystallography Open Database

Information card for entry 1508112

Preview

Coordinates	1508112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H112 Al2 N4
Calculated formula	C70 H112 Al2 N4
SMILES	[AlH]1([AlH]2[N](=C(N2c2c(cccc2C(C)C)C(C)C)C)c2c(cccc2C(C)C)C(C)C)[N](=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(C(C)C)cccc1C(C)C.C1CCCCC1.C1CCCCC1.C1CCCCC1
Title of publication	Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer.
Authors of publication	Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	10
Pages of publication	865 - 869
a	10.606 ± 0.0007 Å
b	11.9107 ± 0.0007 Å
c	15.3949 ± 0.001 Å
α	71.643 ± 0.002°
β	77.501 ± 0.002°
γ	67.68 ± 0.002°
Cell volume	1697.09 ± 0.19 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508112.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508112.cif
62658	2012-07-09	cif/ Adding structures of 1508112 via cif-deposit CGI script.	1508112.cif