Crystallography Open Database

Information card for entry 4068577

Preview

Coordinates	4068577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H64 Si2 Zr
Calculated formula	C38 H64 Si2 Zr
Title of publication	Synthesis and Characterization of Chiral Group 4 Metallocene Alkyne Complexes: (η5-menthyl-C5H4)2M(η2-Me3SiC2SiMe3), M = Ti, Zr⊥
Authors of publication	Klahn, Marcus; Baumann, Wolfgang; Arndt, Perdita; Burlakov, Vladimir V.; Schareina, Thomas; Spannenberg, Anke; Rosenthal, Uwe
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	3
Pages of publication	915
a	15.934 ± 0.003 Å
b	9.902 ± 0.002 Å
c	14.921 ± 0.003 Å
α	90°
β	120.52 ± 0.03°
γ	90°
Cell volume	2028 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	0.881
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
178575 (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 4/06/85.	4068577.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068577.cif
39885	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068576, 4068577, 4068578 via cif-deposit CGI script.	4068577.cif