Sample Originator: Craig J. Matthewsa.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Nottingham Trent Universitya
University of Southamptonb
C38H38Cl2MnN16O10
InChI=1/C34H30N14.C2H4ClNO2.CH4ClNO.2CHN.3CH4.ClHO.Mn.2O2.6H2O.4H2/c35-31(27-15-5-11-23(41-27)21-9-1-3-19-39-21)45-47-33(37)29-17-7-13-25(43-29)26-14-8-18-30(44-26)34(38)48-46-32(36)28-16-6-12-24(42-28)22-10-2-4-20-40-22;1-6-2(3)4-5;2-1-4-3;2*1-2;;;;1-2;;2*1-2;;;;;;;;;;/h1-20,33-34,45H,35,37-38H2,(H-,36,46);2H,1H3;1,3H2;2*1H;3*1H4;2H;;;;6*1H2;4*1H/q-3;;;;;;;;;+3;;;;;;;;;;;;/t;2-;;;;;;;;;;;;;;;;;;;;/m.0..................../s1
| Identification Number: | 10.5258/ecrystals/1065 |
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| Controlled Keywords: | structures of transition-metal organic compounds |
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| Date Created: | 02 December 2004 |
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| Deposited On: | 28 Mar 2012 12:54 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
There was disorder of a perchlorate anion and the solvent acetonitrile.
Data collection parameters
| Chemical formula | C38 H38 Cl2 Mn N16 O10 |
| Crystal morphology | Plate |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 11.0194(6) |
| Cell length b | 13.230(2) |
| Cell length c | 16.983(4) |
| Cell angle alpha | 110.038(11) |
| Cell angle beta | 93.940(10) |
| Cell angle gamma | 109.791(12) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1782 |
| R Factor (Obs) | 0.0661 |
| R Factor (All) | 0.0906 |
| Weighted R Factor (Obs) | 0.1723 |
| Weighted R Factor (All) | 0.1886 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1065)
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