Crystallography Open Database

Information card for entry 4072132

Preview

Coordinates	4072132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H92 Cl2 Ti2
Calculated formula	C60 H92 Cl2 Ti2
Title of publication	Menthyl-Substituted Group 4 Metallocene Dihalides
Authors of publication	Klahn, Marcus; Arndt, Perdita; Spannenberg, Anke; Gansäuer, Andreas; Rosenthal, Uwe
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	22
Pages of publication	5846
a	11.036 ± 0.0005 Å
b	11.7476 ± 0.0006 Å
c	11.8519 ± 0.0007 Å
α	83.696 ± 0.005°
β	67.575 ± 0.004°
γ	83.281 ± 0.004°
Cell volume	1407.05 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0562
Goodness-of-fit parameter for all reflections included in the refinement	0.709
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
178610 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/21.	4072132.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072132.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072132.cif
44254	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072132, 4072133, 4072134, 4072135, 4072136, 4072137 via cif-deposit CGI script.	4072132.cif