Sample Originator: Angelo Amorosoa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
Cardiff Universitya
University of Southamptonb
C73H61As3BF3FeN4
InChI=1/C36H24As3F3.C18H15B.C6H6.C5H6.4C2H3N.Fe/c40-34-22-10-7-19-31(34)37-25-13-1-2-14-26(25)38(32-20-8-11-23-35(32)41)29-17-5-6-18-30(29)39(28-16-4-3-15-27(28)37)33-21-9-12-24-36(33)42;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;1-2-4-5-3-1;4*1-2-3;/h1-24H;1-15H;1-6H;1-4H,5H2;4*1H3;
| Identification Number: | 10.5258/ecrystals/879 |
|---|
| Controlled Keywords: | lanthanide coordination, novel structures |
|---|
| Date Created: | 25 July 2002 |
|---|
| Deposited On: | 28 Mar 2012 13:02 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Data collection parameters
| Chemical formula | C73 H61 As3 B F3 Fe N4 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 15.6500(3) |
| Cell length b | 14.7771(4) |
| Cell length c | 27.3245(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 102.417(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0894 |
| R Factor (All) | 0.1309 |
| Weighted R Factor (Obs) | 0.2464 |
| Weighted R Factor (All) | 0.2826 |
Citation: Amoroso, Angelo and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/879)
Export as: oreChem EndNote BibTeX ASCII Citation
