Sample Originator: Allan E. Underhilla.
Data Collection: Michael B. Hursthouseb and K.M. Abdul Malikc
Structure Determination: Michael B. Hursthouseb and K.M. Abdul Malikc.
University College of North Walesa
University of Southamptonb
University of Cardiffc
C58H38F48Gd4O27
InChI=1/C6H6.4C5H3F6O2.C3H6.2Gd.5H2O.2O/c1-2-4-6-5-3-1;4*6-4(7,8)2(12)1-3(13)5(9,10)11;1-3-2;;;;;;;;;/h1-6H;4*1-2,13H;3H,1H2,2H3;;;5*1H2;;/q;4*-1;;2*+4;;;;;;;/p-4/b;4*3-1-;;;;;;;;;;/t;2-;;;;;;;;;;;;;/m.1............./s1
| Identification Number: | 10.5258/ecrystals/1185 |
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| Controlled Keywords: | rare-earth compounds |
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| Date Created: | 12 March 1993 |
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| Deposited On: | 14 Aug 2013 22:53 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
The electronic files for this structure were recovered from floppy diskette and unfortunately no metadata is available.
Data collection parameters
| Chemical formula | C58 H38 F48 Gd4 O27 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | I2/a |
| Cell length a | 26.129(9) |
| Cell length b | 12.714(5) |
| Cell length c | 28.369(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 116.96(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0401 |
| R Factor (All) | 0.0787 |
| Weighted R Factor (Obs) | 0.1054 |
| Weighted R Factor (All) | 0.1540 |
Citation: Underhill, Allan E. and Hursthouse, Michael B. and Malik, K.M. Abdul (1993) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1185)
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