Sample Originator: A.K. Cheethama and T.D. Bennettb.
Data Collection: Samantha K. Callearc and Michael B. Hursthousec
Structure Determination: Samantha K. Callearc.
Univeristy of Cambridgea
University of Cambridgeb
University of Southamptonc
C7.5H9.5N4.5O0.5Zn
InChI=1/8C3H3N2.C3H7NO.4H2N.8Zn/c8*1-2-5-3-4-1;1-4(2)3-5;;;;;;;;;;;;/h8*1-3H;3H,1-2H3;4*1H2;;;;;;;;/q13*-1;;;2*+1;2*+2;2*+3
| Identification Number: | 10.5258/ecrystals/625 |
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| Date Created: | 13 January 2009 |
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| Deposited On: | 09 Apr 2009 11:07 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C7.50 H9.50 N4.50 O0.50 Zn |
| Crystal morphology | Block |
| Crystal system | orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 15.5741(6) |
| Cell length b | 14.8047(4) |
| Cell length c | 18.4602(8) |
| 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) | 0.0473 |
| R Factor (All) | 0.0889 |
| Weighted R Factor (Obs) | 0.0994 |
| Weighted R Factor (All) | 0.1143 |
Citation: Cheetham, A.K. and Bennett, T.D. and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/625)
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