Crystallography Open Database

Information card for entry 4312231

Preview

Coordinates	4312231.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(iPr4Xan)Ti2(NMe2)2Cl4(benzene)0.5
Formula	C36 H55 Cl4 N6 O Ti2
Calculated formula	C36 H55 Cl4 N6 O Ti2
Title of publication	Dititanium Complexes of Preorganized Binucleating Bis(amidinates)
Authors of publication	Michael J. McNevin; John R. Hagadorn
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	8547 - 8554
a	13.1241 ± 0.0006 Å
b	17.5798 ± 0.0008 Å
c	19.5927 ± 0.0008 Å
α	74.694 ± 0.001°
β	77.709 ± 0.001°
γ	79.264 ± 0.001°
Cell volume	4219.3 ± 0.3 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1079
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1763
Weighted residual factors for all reflections included in the refinement	0.2004
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179161 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/22.	4312231.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312231.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312231.cif
3736	2010-11-17	../uploads/cif-deposit/cod/cif Adding structures of 4312231 via cif-deposit CGI script.	4312231.cif