Crystallography Open Database

Information card for entry 4088352

Preview

Coordinates	4088352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 Cl N Ti
Calculated formula	C26 H40 Cl N Ti
SMILES	[Ti]123456789([c]%10([cH]1[cH]2[cH]3[cH]4%10)C(C)(C)C(C)(C)C(=N5)C(C)(C)C)([c]1([c]6([c]7([c]8([c]91C)C)C)C)C)Cl
Title of publication	Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands
Authors of publication	Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	5
Pages of publication	785
a	8.3488 ± 0.0002 Å
b	19.1766 ± 0.0004 Å
c	15.045 ± 0.0003 Å
α	90°
β	95.484 ± 0.001°
γ	90°
Cell volume	2397.7 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0472
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237492 (current)	2019-11-24	cif/ Adding structures of 4088352 via cif-deposit CGI script.	4088352.cif