Crystallography Open Database

Information card for entry 4080881

Preview

Coordinates	4080881.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ti(N2ArO)(NNPh2)(py)2
Formula	C40 H46 N6 O Si2 Ti
Calculated formula	C40 H46 N6 O Si2 Ti
SMILES	[Ti]12(=NN(c3ccccc3)c3ccccc3)(N([Si](C)(C)C)c3c([O]2c2c(N1[Si](C)(C)C)cccc2)cccc3)([n]1ccccc1)[n]1ccccc1
Title of publication	Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands
Authors of publication	Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	10
Pages of publication	3091
a	12.5602 ± 0.0002 Å
b	28.568 ± 0.0005 Å
c	13.1348 ± 0.0002 Å
α	90°
β	104.057 ± 0.0006°
γ	90°
Cell volume	4571.9 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1407
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for all reflections	0.1055
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.0878
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4080881.cif
87314	2013-07-14	cif/ Adding structures of 4080880, 4080881, 4080882, 4080883, 4080884, 4080885, 4080886, 4080887, 4080888, 4080889, 4080890, 4080891, 4080892, 4080893 via cif-deposit CGI script.	4080881.cif