Crystallography Open Database

Information card for entry 4080884

Preview

Coordinates	4080884.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ti(O(CH2CH2NSiMe3)2)(NNPh2)(bipy)
Formula	C32 H44 N6 O Si2 Ti
Calculated formula	C32 H44 N6 O Si2 Ti
SMILES	[Ti]123(=NN(c4ccccc4)c4ccccc4)(N([Si](C)(C)C)CC[O]3CCN1[Si](C)(C)C)[n]1ccccc1c1[n]2cccc1
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	10.0067 ± 0.0001 Å
b	19.2 ± 0.0002 Å
c	17.1616 ± 0.0002 Å
α	90°
β	98.5373 ± 0.0004°
γ	90°
Cell volume	3260.7 ± 0.06 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for all reflections	0.062
Weighted residual factors for significantly intense reflections	0.0417
Weighted residual factors for all reflections included in the refinement	0.0391
Goodness-of-fit parameter for all reflections included in the refinement	1.1587
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.	4080884.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.	4080884.cif