Formula:

C14 H29 N3 Si

OMDB ID:

32197

COD ID:

7102561


Publication details:

Titanium complexes with imidazolin-2-iminato ligands.

Publisher:

Chemical communications (Cambridge, England), 2004, page: 876


Version History:

No changes

Crystallographic Information

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a 9.0758(2)
b 9.4187(2)
c 11.0961(3)
α 84.7122(12)
β 83.0332(13)
γ 63.7546(9)
Download cif file COD link


Symmetry properties

Hermann-Mauguin symmetry space group P -1
Hall symmetry space group -P 1
Space group IT number 2

Band structure and density of states

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Indirect band gap DFT GGA* (eV) 3.553
Magnetization density [μB3]  0
* Warning! DFT is not very accurate in estimation of band gaps and tends to underestimate them.
Special points in the Brillouin zone
Density of states filters
Specie l m

Input files for DFT calculations (VASP)

Self-consistent
Band structure
Density of states


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