Sample Originator: Scott S. Turnera.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Surreya
University of Southamptonb
C70H56Cr2N12S32
InChI=1/C16H16N2.C10H8S8.C5H5S4.4CNS.Cr/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;1-2-12-6-5(11-1)15-9(16-6)10-17-7-8(18-10)14-4-3-13-7;1-2-7-5-4(6-1)8-3-9-5;4*2-1-3;/h5-8H,1-4H3;1-4H2;3H,1-2H2;;;;;/q;;;4*-1;+4
| Identification Number: | 10.5258/ecrystals/930 |
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| Controlled Keywords: | chromium, charge transfer, conduction |
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| Date Created: | 15 June 2003 |
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| Deposited On: | 08 Nov 2013 16:29 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C70 H56 Cr2 N12 S32 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.9162(2) |
| Cell length b | 11.0761(2) |
| Cell length c | 23.8610(5) |
| Cell angle alpha | 80.144(1) |
| Cell angle beta | 87.570(1) |
| Cell angle gamma | 77.550(2) |
| Data collection temperature | 300(2) |
Refinement results
| Solution figure of merit | 0.0519 |
| R Factor (Obs) | 0.0564 |
| R Factor (All) | 0.0934 |
| Weighted R Factor (Obs) | 0.1306 |
| Weighted R Factor (All) | 0.1501 |
Citation: Turner, Scott S. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/930)
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