Crystallography Open Database

Information card for entry 2238842

Preview

Coordinates	2238842.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[6,6'-Bis(1,1-dimethylethyl)-4,4'-dimethyl-2,2'-methylenediphenolato-κ^2^<i>O</i>,<i>O</i>']dichlorido(9<i>H</i>-fluoren-9-ol-κ<i>O</i>)titanium(IV)–fluorene–diethyl ether (1/0.5/1)
Formula	C46.5 H55 Cl2 O4 Ti
Calculated formula	C46.5 H55 Cl2 O4 Ti
Title of publication	[6,6'-Bis(1,1-dimethylethyl)-4,4'-dimethyl-2,2'-methylenediphenolato-κ^2^<i>O</i>,<i>O</i>']dichlorido(9<i>H</i>-fluoren-9-ol-κ<i>O</i>)titanium(IV)–fluorene–diethyl ether (1/0.5/1)
Authors of publication	Nielson, Alastair J.; Shen, Chaohong; Waters, Joyce M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m673 - m674
a	12.71 ± 0.003 Å
b	13.227 ± 0.003 Å
c	14.431 ± 0.003 Å
α	110.28 ± 0.03°
β	109.22 ± 0.03°
γ	91.72 ± 0.03°
Cell volume	2120.2 ± 1.1 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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