Crystallography Open Database

Information card for entry 4312230

Preview

Coordinates	4312230.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tBuEtLXanTi2(NMe2)6
Formula	C41 H76 N10 O Ti2
Calculated formula	C41 H76 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	17.984 ± 0.0008 Å
b	14.0692 ± 0.0006 Å
c	19.3685 ± 0.0008 Å
α	90°
β	101.934 ± 0.001°
γ	90°
Cell volume	4794.7 ± 0.4 Å³
Cell temperature	148 ± 2 K
Ambient diffraction temperature	148 ± 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	0.0734
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	4312230.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312230.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312230.cif
3735	2010-11-17	../uploads/cif-deposit/cod/cif Adding structures of 4312230 via cif-deposit CGI script.	4312230.cif