Crystallography Open Database

Information card for entry 4071110

Preview

Coordinates	4071110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H38 P4 Ti
Calculated formula	C17 H38 P4 Ti
Title of publication	Mono(cyclopentadienyl)titanium(II) Complexes with Hydride, Alkyl, and Tetrahydroborate Ligands: Synthesis, Crystal Structures, and Ethylene Dimerization and Trimerization Catalysis
Authors of publication	You, Yujian; Girolami, Gregory S.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	3172
a	11.419 ± 0.005 Å
b	14.684 ± 0.006 Å
c	26.877 ± 0.009 Å
α	90°
β	93.46 ± 0.03°
γ	90°
Cell volume	4498 ± 3 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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