Crystallography Open Database

Information card for entry 1508107

Preview

Coordinates	1508107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H120 Al2 I2 N6
Calculated formula	C86 H120 Al2 I2 N6
SMILES	I[Al]1([Al]2(I)[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.c1ccccc1.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	11.992 ± 0.002 Å
b	13.192 ± 0.003 Å
c	15.969 ± 0.003 Å
α	111.76 ± 0.03°
β	93.91 ± 0.03°
γ	114.89 ± 0.03°
Cell volume	2051.6 ± 1.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.052
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	1508107.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508107.cif
62653	2012-07-09	cif/ Adding structures of 1508107 via cif-deposit CGI script.	1508107.cif