''
Formula:

C15 H34 N2 O Si Ti

Crystal density:

1.19 g/cc

Database ID:

352

COD ID:

4061348

Publication details:

Titanium Complexes Incorporating 1,1-Di(t-butylamido)-1- silacycloalkane Ligands: Generation of Alkyl Derivatives and Reactivity Towards Molecular Oxygen

Publisher:

Organometallics, 2004

Version History:

No changes

Crystallographic Information

Explore
Interact
a 8.9914(11)
b 10.4085(7)
c 10.9796(5)
α 83.523(5)
β 81.554(6)
γ 67.081(7)
Download .cif file View in COD

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

Select a range with the left mouse button to zoom in


* Warning! DFT is not very accurate in estimation of band gaps and tends to underestimate them.
Indirect band gap DFT GGA* (eV) 2.6286
Magnetization density (μB/Å3) 0
Effective light hole mass (me)  15.5829
Effective heavy hole mass (me)  15.5829
Effective electron mass (me)  42.96
Special points in the Brillouin zone
Density of states filters
Specie l m

Input files for DFT calculations (VASP)

Self-consistent
INCAR.gz POSCAR.gz KPOINTS.gz
Band structure
INCAR.gz POSCAR.gz KPOINTS.gz
Density of states
INCAR.gz POSCAR.gz KPOINTS.gz

Community Contributions

Add your contribution

There isn't any community contribution for this material.

Services

Propose or request a new service

There isn't any service proposal or request for this material.

Similar Materials

See the similar materials for this material by logging in.

Comments

See the community comments for this material by logging in.