Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7015738
7015737 << 7015738 >> 7015739Preview
|
Coordinates |
7015738.cif |
Structure parameters
| Common name | [Fe(TiPrP)(2-MeBzIm)2]ClO4 |
| Chemical name | [(5,10,15,20-tetraisopropylporphyrinato)iron(III) (2-methylbenzimidazole)2]perchlorate |
| Formula | - C50 H54 Cl7 Fe N8 O4 - |
| Calculated formula | - C50 H54 Cl7 Fe N8 O4 - |
| Title of publication | Formation and characterization of a six-coordinate iron(III) complex with the most ruffled porphyrin ring. |
| Authors of publication | Ikezaki, Akira; Nakamura, Mikio |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 14 |
| Pages of publication | 3455 - 3458 |
| a | 43.2 ± 0.009 Å |
| b | 11.7 ± 0.002 Å |
| c | 10.682 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5399.1 ± 1.8 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P c a 21 |
| Hall symmetry space group | P 2c -2ac |
| Residual factor for all reflections | 0.1042 |
| Residual factor for observed reflections | 0.0641 |
| Weighted residual factors for the observed reflections | 0.1307 |
| Weighted residual factors for all reflections included in the refinement | 0.1487 |
| Goodness-of-fit parameter for observed reflections | 0.916 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |