Sample Originator: Ian R. Butlera.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University College of North Walesa
University of Southamptonb
C47H39Cl5FeNiP3
InChI=1/C29H25P2.C17H16P.CH3Cl.2Cl2.3ClH.Fe.Ni/c1-5-14-24(15-6-1)30(25-16-7-2-8-17-25)28-22-13-23-29(28)31(26-18-9-3-10-19-26)27-20-11-4-12-21-27;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;3*1-2;;;;;/h1-22,31H,23H2;1-7,9-14,17H,8H2;1H3;;;3*1H;;/q+1;;;;;;;;;/p-1
| Identification Number: | 10.5258/ecrystals/1106 |
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| Controlled Keywords: | ferrocene compounds, nickel compounds |
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| Date Created: | 13 August 2005 |
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| Deposited On: | 10 Jun 2013 17:03 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C47 H39 Cl5 Fe Ni P3 |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 10.6819(2) |
| Cell length b | 28.4913(6) |
| Cell length c | 15.1257(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 106.9860(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0719 |
| R Factor (Obs) | 0.0505 |
| R Factor (All) | 0.0707 |
| Weighted R Factor (Obs) | 0.1077 |
| Weighted R Factor (All) | 0.1153 |
Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1106)
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