02SRC723
- C66H48Cr2N12S32
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
C66H48Cr2N12S32 InChI=1/C14H12N2.C10H8S8.C5H5S4.4CNS.Cr/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;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;/h3-8H,1-2H3;1-4H2;3H,1-2H2;;;;;/q;;;4*-1;+4 | Identification Number: | 10.5258/ecrystals/928 |
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| Controlled Keywords: | chromium, charge transfer, magnetic compounds, conduction |
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| Date Created: | 20 November 2002 |
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| Deposited On: | 24 Sep 2013 22:21 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C66 H48 Cr2 N12 S32 | | Crystal morphology | | | Crystal system | Triclinic | | Space group symbol | P-1 | | Cell length a | 8.6560(2) | | Cell length b | 10.2951(2) | | Cell length c | 25.0197(5) | | Cell angle alpha | 82.8290(10) | | Cell angle beta | 88.6050(10) | | Cell angle gamma | 73.2990(10) | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | 0.0700 | | R Factor (Obs) | 0.0684 | | R Factor (All) | 0.0992 | | Weighted R Factor (Obs) | 0.1664 | | Weighted R Factor (All) | 0.1887 |
Citation: Turner, Scott S. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/928)
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