Crystallography Open Database

Information card for entry 7111482

Preview

Coordinates	7111482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H121 Ga2 Li N4 O4 Zr
Calculated formula	C85 H114 Ga2 Li N4 O4 Zr
Title of publication	Evidence for the first oxidative insertion of a transition metal into a digallane(4): synthesis, structural characterisation and EPR studies of [Cp2ZrIII{Ga[N(Ar)C(H)]2}2][Li(THF)4], Ar = C6H3Pri2-2,6
Authors of publication	Baker, Robert J.; Jones, Cameron; Murphy, Damien M.
Journal of publication	Chemical Communications
Year of publication	2005
Journal issue	10
Pages of publication	1339 - 1341
a	15.171 ± 0.003 Å
b	21.373 ± 0.004 Å
c	26.866 ± 0.005 Å
α	90°
β	105.13 ± 0.03°
γ	90°
Cell volume	8409 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0818
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1326
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180228 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/14.	7111482.cif
96537	2014-01-29	cif/ Adding structures of 7111482 via cif-deposit CGI script.	7111482.cif