Crystallography Open Database

Information card for entry 4301061

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Coordinates	4301061.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ti2(NC6F5)2Cl2(mu-Cl)2(NC5H5)4]
Formula	C32 H20 Cl2 F10 N6 Ti2
Calculated formula	C32 H20 Cl4 F10 N6 Ti2
SMILES	c1(c(c(c(c(c1F)F)F)F)F)N=[Ti]1([n]2ccccc2)(Cl)([n]2ccccc2)[Cl][Ti](=Nc2c(c(c(c(c2F)F)F)F)F)([n]2ccccc2)([n]2ccccc2)(Cl)[Cl]1
Title of publication	New Titanium Imido Synthons: Syntheses and Supramolecular Structures
Authors of publication	Adams, Nico; Bigmore, Helen R.; Blundell, Timothy L.; Boyd, Catherine L.; Dubberley, Stuart R.; Sealey, Andrew J.; Cowley, Andrew R.; Skinner, Michael E. G.; Mountford, Philip
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	8
Pages of publication	2882 - 2894
a	7.2324 ± 0.0002 Å
b	18.1474 ± 0.0005 Å
c	13.7813 ± 0.0003 Å
α	90°
β	103.425 ± 0.001°
γ	90°
Cell volume	1759.36 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0407
Goodness-of-fit parameter for significantly intense reflections	0.4836
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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