Crystallography Open Database

Information card for entry 4301060

Preview

Coordinates	4301060.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ti(N-2-C6H4tBu)Cl2(NHMe2)2
Formula	C16.5 H33 Cl2 N3 Ti
Calculated formula	C16.5 H33 Cl2 N3 Ti
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	10.5572 ± 0.0002 Å
b	11.441 ± 0.0003 Å
c	18.3161 ± 0.0005 Å
α	90°
β	96.8053 ± 0.001°
γ	90°
Cell volume	2196.72 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for all reflections	0.0626
Weighted residual factors for significantly intense reflections	0.0357
Weighted residual factors for all reflections included in the refinement	0.0357
Goodness-of-fit parameter for all reflections included in the refinement	1.1117
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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