Crystallography Open Database

Information card for entry 4312228

Preview

Coordinates	4312228.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tBuEtLDBFTi2(NMe2)6
Formula	C38 H70 N10 O Ti2
Calculated formula	C38 H70 N10 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	25.072 ± 0.001 Å
b	12.5882 ± 0.0005 Å
c	14.6516 ± 0.0006 Å
α	90°
β	104.093 ± 0.001°
γ	90°
Cell volume	4485 ± 0.3 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 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	0.1104
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1552
Weighted residual factors for all reflections included in the refinement	0.1756
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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.	4312228.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312228.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312228.cif
3733	2010-11-17	../uploads/cif-deposit/cod/cif Adding structures of 4312228 via cif-deposit CGI script.	4312228.cif