Crystallography Open Database

Information card for entry 7026539

Preview

Coordinates	7026539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H37 Cl7 N4 Ti
Calculated formula	C32 H37 Cl7 N4 Ti
SMILES	[Ti]1(Cl)(Cl)(Cl)(Cl)[N](=C2N(C=CN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)C(=[N]1c1c(cccc1C)C)C.ClC(Cl)Cl
Title of publication	Coordination study of a new class of imine imidazol-2-imine ligands to titanium(IV) and palladium(II).
Authors of publication	Dastgir, Sarim; Lavoie, Gino G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	30
Pages of publication	6943 - 6946
a	31.2113 ± 0.0007 Å
b	9.2685 ± 0.0004 Å
c	25.6275 ± 0.0008 Å
α	90°
β	105.363 ± 0.0018°
γ	90°
Cell volume	7148.7 ± 0.4 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1526
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1441
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
179971 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/65.	7026539.cif
93525	2014-01-13	cif/ Adding structures of 7026537, 7026538, 7026539, 7026540 via cif-deposit CGI script.	7026539.cif