Crystallography Open Database

Information card for entry 1508105

Preview

Coordinates	1508105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H48 Al I2 N3
Calculated formula	C31 H48 Al I2 N3
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	35.768 ± 0.007 Å
b	10.242 ± 0.002 Å
c	18.497 ± 0.004 Å
α	90°
β	96.92 ± 0.03°
γ	90°
Cell volume	6727 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
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.	1508105.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508105.cif
62651	2012-07-09	cif/ Adding structures of 1508105 via cif-deposit CGI script.	1508105.cif