Crystallography Open Database

Information card for entry 4064116

Preview

Coordinates	4064116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H96 Al4
Calculated formula	C48 H96 Al4
Title of publication	Reactions of Five-Membered Metallacyclocumulenes Cp2M(η4-t-Bu-C4-t-Bu) (M = Ti, Zr) with Diisobutylaluminum Hydride
Authors of publication	Burlakov, Vladimir V.; Kaleta, Katharina; Beweries, Torsten; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Shur, Vladimir B.; Rosenthal, Uwe
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	5
Pages of publication	1157
a	9.1515 ± 0.0004 Å
b	11.573 ± 0.0005 Å
c	14.0031 ± 0.0006 Å
α	112.794 ± 0.003°
β	104.407 ± 0.003°
γ	90.464 ± 0.003°
Cell volume	1315.16 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1689
Weighted residual factors for all reflections included in the refinement	0.1781
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
178535 (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 4/06/41.	4064116.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064116.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064116.cif
32787	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064116 via cif-deposit CGI script.	4064116.cif