Crystallography Open Database

Information card for entry 4311773

Preview

Structure parameters

Formula	C34 H48 N2 O3 Ti
Calculated formula	C34 H48 N2 O3 Ti
SMILES	[Ti]12(=O)(OC(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)OC(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C
Title of publication	Terminal Titanium-Ligand Multiple Bonds. Cleavages of CO and CS Double Bonds with Ti Imido Complexes
Authors of publication	Shih-Hsien Hsu; Jr-Chiuan Chang; Chun-Liang Lai; Ching-Han Hu; Hon Man Lee; Gene-Hsiang Lee; Shie-Ming Peng; Jui-Hsien Huang
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6786 - 6792
a	36.3893 ± 0.0005 Å
b	36.3893 ± 0.0005 Å
c	13.0575 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	14974 ± 0.4 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1685
Weighted residual factors for all reflections included in the refinement	0.1991
Goodness-of-fit parameter for all reflections included in the refinement	0.958
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4311773.html