Crystallography Open Database

Information card for entry 4072132

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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

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