Crystallography Open Database

Information card for entry 4080585

Preview

Coordinates	4080585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Cl4 Ti2
Calculated formula	C28 H36 Cl4 Ti2
Title of publication	Synthesis and Characterization of Group 4 Permethylpentalene Dichloride Complexes
Authors of publication	Cooper, Robert T.; Chadwick, F. Mark; Ashley, Andrew E.; O’Hare, Dermot
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	7
Pages of publication	2228
a	10.2516 ± 0.0002 Å
b	15.1798 ± 0.0003 Å
c	18.8164 ± 0.0003 Å
α	83.7249 ± 0.0007°
β	75.9084 ± 0.0007°
γ	78.9043 ± 0.0008°
Cell volume	2780.95 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.052
Weighted residual factors for all reflections	0.1373
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.0001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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