98SRC117(1127) - C25H36BrFeO3P2Re
Sample Originator: Ian R. Butlera. Data Collection: Mark E. Lightb and Michael B. Hursthouseb Structure Determination: Mark E. Lightb. University of Wales, Bangora
University of Southamptonb
C25H36BrFeO3P2Re InChI=1/C11H19P.C11H18P.3CH3O.BrH.Fe.Re/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;3*1-2;;;/h5-11H,1-4H3;5-10H,1-4H3;3*2H,1H2;1H;;/q;;;;;;;-1/p+1 | Identification Number: | 10.5258/ecrystals/747 |
|---|
| Date Created: | 06 May 1998 |
|---|
| Deposited On: | 14 Aug 2013 23:46 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Data collection parameters| Chemical formula | C25 H36 Br Fe O3 P2 Re | | Crystal morphology | | | Crystal system | monoclinic | | Space group symbol | C2/c | | Cell length a | 19.348(4) | | Cell length b | 9.607(2) | | Cell length c | 30.063(6) | | Cell angle alpha | 90.00 | | Cell angle beta | 99.63(3) | | Cell angle gamma | 90.00 | | Data collection temperature | 293(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0552 | | R Factor (All) | 0.0748 | | Weighted R Factor (Obs) | 0.1352 | | Weighted R Factor (All) | 0.1386 |
Citation: Butler, Ian R. and Light, Mark E. and Hursthouse, Michael B. (1998) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/747)
Export as: oreChem EndNote BibTeX ASCII Citation Available FilesFinal ResultValidationRefinementProcessingOther Files   Repository Staff Only: item control page
|
