Crystallography Open Database

Information card for entry 7710896

Preview

Coordinates	7710896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 Cl2 N3 Ti
Calculated formula	C30 H39 Cl2 N3 Ti
SMILES	[Ti]1234(Cl)(Cl)(N=C5N(C=CN5C56CC7CC(C5)CC(C6)C7)c5c(cccc5C(C)C)C(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
Title of publication	Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.
Authors of publication	Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	30
Pages of publication	11448 - 11456
a	10.3898 ± 0.0002 Å
b	19.4721 ± 0.0002 Å
c	13.9922 ± 0.0002 Å
α	90°
β	101.575 ± 0.002°
γ	90°
Cell volume	2773.21 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0358
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
277050 (current)	2022-08-03	cif/ Adding structures of 7710886, 7710887, 7710888, 7710889, 7710890, 7710891, 7710892, 7710893, 7710894, 7710895, 7710896 via cif-deposit CGI script.	7710896.cif