Sample Originator: Carl Redshawa.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of East Angliaa
University of Southamptonb
C65H75Cl3Mo4N12O6Si
InChI=1/C12H11N2O.C12H10N2O.C12H9N2O.C12H8N2O.3C4H10N.C2H4.CH4N2.7CH4.3ClH.4Mo.H2OSi.2H2O.H4Si.H2/c4*13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;3*1-4(2,3)5;1-2;1-2-3-1;;;;;;;;;;;;;;;1-2;;;;/h1-8,13H,14H2;1-8H,13H2;1-8,13H;1-8H;3*5H,1-3H3;1-2H2;2-3H,1H2;7*1H4;3*1H;;;;;2H2;2*1H2;1H4;1H/q-1;;-1;;3*-1;;;;;;;;;;;;;+1;+2;2*+3;;;;;/p-4
| Controlled Keywords: | optoelectronics, organic compounds, molybdenum complexes |
|---|
| Date Created: | 14 November 2003 |
|---|
| Deposited On: | 08 Nov 2013 16:16 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Depositor Comments
All hydrogen atoms were fixed.
There is a molecule of disordered solvent acetonitrile in the asymmetric unit.
There is a molecule of Me3SiO bound to the Mo ‘cage’ which is also disordered.
Data collection parameters
| Chemical formula | C65 H75 Cl3 Mo4 N12 O6 Si |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 12.6653(2) |
| Cell length b | 26.0651(4) |
| Cell length c | 24.2388(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 100.2230(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0443 |
| R Factor (All) | 0.0858 |
| Weighted R Factor (Obs) | 0.0943 |
| Weighted R Factor (All) | 0.1086 |
Citation: Redshaw, Carl and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1077/)
Export as: oreChem EndNote BibTeX ASCII Citation
