Crystallography Open Database

Information card for entry 7710887

Preview

Coordinates	7710887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H70 Cl4 N6 Ti
Calculated formula	C51 H70 Cl4 N6 Ti
SMILES	[Ti](Cl)(Cl)(N=C1N(C=CN1C12CC3CC(C1)CC(C2)C3)c1c(cccc1C(C)C)C(C)C)N=C1N(C=CN1C12CC3CC(C1)CC(C2)C3)c1c(cccc1C(C)C)C(C)C.ClCCl
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	16.9882 ± 0.0003 Å
b	18.0462 ± 0.0002 Å
c	18.3671 ± 0.0003 Å
α	90°
β	116.512 ± 0.002°
γ	90°
Cell volume	5038.71 ± 0.16 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1649
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7710887.cif