Sample Originator: Paul D. Smitha.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
Manchester Metropolitan Universitya
University of Southamptonb
C24H29N5NiO3S2
InChI=1/C21H26N4O2S2.C3H7NO.Ni/c1-14-6-16(20(28)18(8-14)12-24-26)10-22-4-3-5-23-11-17-7-15(2)9-19(13-25-27)21(17)29;1-4(2)3-5;/h6-13,24-29H,3-5H2,1-2H3;3H,1-2H3;/q-2;;+4/p-2
| Identification Number: | 10.5258/ecrystals/905 |
|---|
| Controlled Keywords: | nickel, chelates |
|---|
| Date Created: | 30 January 2004 |
|---|
| Deposited On: | 08 Nov 2013 16:35 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Data collection parameters
| Chemical formula | C24 H29 N5 Ni O3 S2 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 11.6146(2) |
| Cell length b | 13.3420(4) |
| Cell length c | 16.3699(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0334 |
| R Factor (All) | 0.0367 |
| Weighted R Factor (Obs) | 0.0757 |
| Weighted R Factor (All) | 0.0781 |
Citation: Smith, Paul D. and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/905)
Export as: oreChem EndNote BibTeX ASCII Citation
