Crystallography Open Database

Information card for entry 4064782

Preview

Coordinates	4064782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 Al2 B12 Cl12
Calculated formula	C8 H20 Al2 B12 Cl12
Title of publication	Cationic Dialkyl Metal Compounds of Group 13 Elements (E = Al, Ga, In) Stabilized by the Weakly Coordinating Dianion [B12Cl12]2‒
Authors of publication	Kessler, Mathias; Knapp, Carsten; Zogaj, Ardiana
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	14
Pages of publication	3786
a	11.721 ± 0.002 Å
b	13.85 ± 0.003 Å
c	9.0489 ± 0.0018 Å
α	90°
β	94.75 ± 0.03°
γ	90°
Cell volume	1463.9 ± 0.5 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.298
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
178541 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/47.	4064782.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064782.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064782.cif
33042	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064782, 4064783 via cif-deposit CGI script.	4064782.cif