Crystallography Open Database

Information card for entry 4312229

Preview

Coordinates	4312229.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	iPrLXanTi2(NMe2)6
Formula	C41 H76 N10 O Ti2
Calculated formula	C41 H76 N10 O Ti2
SMILES	c1(cccc2c1Oc1c(cccc1C2(C)C)C1=[N](C(C)C)[Ti](N1C(C)C)(N(C)C)(N(C)C)N(C)C)C1=[N](C(C)C)[Ti](N1C(C)C)(N(C)C)(N(C)C)N(C)C
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	13.2566 ± 0.0019 Å
b	13.2566 ± 0.0019 Å
c	23.143 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	3522.2 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
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.	4312229.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312229.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312229.cif
3734	2010-11-17	../uploads/cif-deposit/cod/cif Adding structures of 4312229 via cif-deposit CGI script.	4312229.cif