Crystallography Open Database

Information card for entry 4064115

Preview

Coordinates	4064115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H50 Al O Ti
Calculated formula	C33 H50 Al O Ti
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	15.4074 ± 0.0006 Å
b	9.9765 ± 0.0002 Å
c	20.8968 ± 0.0007 Å
α	90°
β	106.406 ± 0.003°
γ	90°
Cell volume	3081.31 ± 0.18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	0.852
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.	4064115.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064115.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064115.cif
32786	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064115 via cif-deposit CGI script.	4064115.cif