Crystallography Open Database

Information card for entry 2010505

2010504 << 2010505 >> 2010506

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Coordinates	2010505.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[m-1,2(h^5^)-1,3-dicyclopentadienyl-1,1,3,3-tetramethyldisiloxanyl] bis[dichloro(h^5^-cyclopentadienyl)titanium] dichloromethane solvate
Formula	C25 H32 Cl6 O Si2 Ti2
Calculated formula	C25 H32 Cl6 O Si2 Ti2
SMILES	[Ti](Cl)(Cl)([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([cH]12)([cH]13)([cH]21)([cH]12)[c]23[Si](C)(C)O[Si](C)(C)[c]12[Ti](Cl)(Cl)([cH]13)([cH]21)([cH]12)([cH]23)([cH]12)([cH]13)([cH]21)([cH]12)[cH]23.C(Cl)Cl
Title of publication	[(η^5^-C~5~<i>R</i>~5~)TiCl~2~(η^5^-C~5~H~4~SiMe~2~)]~2~O·<i>n</i>CH~2~Cl~2~ (<i>R</i> = H, Me; <i>n</i> = 1, 0)
Authors of publication	Grimmond, Brian J.; Corey, Joyce Y.; Rath, Nigam P.
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	1
Pages of publication	53 - 55
a	13.6494 ± 0.0002 Å
b	12.8573 ± 0.0002 Å
c	18.4995 ± 0.0003 Å
α	90°
β	103.977 ± 0.001°
γ	90°
Cell volume	3150.44 ± 0.09 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.146
Residual factor for significantly intense reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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