Crystallography Open Database

Information card for entry 2241994

2241993 << 2241994 >> 2241995

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Structure parameters

Chemical name	trichloro(3,3'-di-<i>t</i>-butyl-2'-hydroxy-5,5',6,6'-tetramethyl-1,1'-\ biphenyl-2-ol)(tetrahydrofuran)titanium(IV)
Formula	C28 H41 Cl3 O3 Ti
Calculated formula	C28 H41 Cl3 O3 Ti
Title of publication	Crystal structure of a rare trigonal bipyramidal titanium(IV) coordination complex: trichlorido(3,3'-di-<i>tert</i>-butyl-2'-hydroxy-5,5',6,6'-tetramethyl-1,1'-biphenyl-2-olato-κ<i>O</i>^2^)(tetrahydrofuran-κ<i>O</i>)titanium(IV)
Authors of publication	Kim, Yun Young; Tanski, Joseph M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	1
Pages of publication	88 - 91
a	10.289 ± 0.004 Å
b	7.141 ± 0.003 Å
c	40.33 ± 0.016 Å
α	90°
β	95.164 ± 0.007°
γ	90°
Cell volume	2951 ± 2 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1518
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
189332 (current)	2016-12-23	cif/ hkl/ Adding structures of 2241994 via cif-deposit CGI script.	2241994.cif 2241994.hkl