Sample Originator: Robin B. Bedforda.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Bristol Universitya
University of Southamptonb
C33H48Cl3FeN2O2
InChI=1/C32H50N2O2.2CH4.Cl2.3ClH.Fe.H2/c1-29(2,3)23-15-21(27(35)25(17-23)31(7,8)9)19-33-13-14-34-20-22-16-24(30(4,5)6)18-26(28(22)36)32(10,11)12;;;1-2;;;;;/h15-18,35-36H,13-14,19-20H2,1-12H3;2*1H4;;3*1H;;1H/q-2;;;;;;;+5;/p-3
| Controlled Keywords: | catalysis, iron compounds |
|---|
| Date Created: | 01 February 2005 |
|---|
| Deposited On: | 17 Feb 2010 13:06 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Depositor Comments
All hydrogen atoms were fixed.
There is a disordered molecule of DCM in the asymmetric unit.
Data collection parameters
| Chemical formula | C33 H48 Cl3 Fe N2 O2 |
| Crystal morphology | Cut Shard |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 11.2450(7) |
| Cell length b | 9.0486(8) |
| Cell length c | 34.6489(18) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.632(5) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0810 |
| R Factor (Obs) | 0.0552 |
| R Factor (All) | 0.1069 |
| Weighted R Factor (Obs) | 0.1150 |
| Weighted R Factor (All) | 0.1325 |
Citation: Bedford, Robin B. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1094/)
Export as: oreChem EndNote BibTeX ASCII Citation
