Sample Originator: Eric G. Hopea.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Leicestera
University of Southamptonb
C75H72BClF16N4O3Ru
InChI=1/C27H36N2.C12BF11.C6HF5.CH3Cl.CH3.ClHO.H2O.Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17;7-2-1-3(8)5(10)6(11)4(2)9;1-2;;1-2;;/h9-16,18-21H,1-8H3;;1H;1H3;1H3;2H;1H2;
| Controlled Keywords: | ruthenium compounds |
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| Date Created: | 07 February 2005 |
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| Deposited On: | 17 Feb 2010 16:39 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
The anion was completely disordered over two main positions.
The anions (Cl- and CO-) around the ruthenium were also disordered, with the best (sensible fitting) ratio of 1:3.
Data collection parameters
| Chemical formula | C75 H72 B Cl F16 N4 O3 Ru |
| Crystal morphology | Cut Block |
| Crystal system | monoclinic |
| Space group symbol | C2/c |
| Cell length a | 18.253(3) |
| Cell length b | 23.128(7) |
| Cell length c | 16.974(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 102.535(19) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0663 |
| R Factor (All) | 0.0953 |
| Weighted R Factor (Obs) | 0.1484 |
| Weighted R Factor (All) | 0.1658 |
Citation: Hope, Eric G. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1070/)
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