Crystallography Open Database

Information card for entry 1508115

Preview

Coordinates	1508115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H98 Al2 N6
Calculated formula	C62 H98 Al2 N6
SMILES	[AlH]1([AlH]2[N](=C(N2c2c(cccc2C(C)C)C(C)C)N(C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
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	11.729 ± 0.002 Å
b	15.039 ± 0.003 Å
c	17.886 ± 0.004 Å
α	90°
β	104.89 ± 0.03°
γ	90°
Cell volume	3049 ± 1.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	1508115.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508115.cif
62661	2012-07-09	cif/ Adding structures of 1508115 via cif-deposit CGI script.	1508115.cif