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
C74H52Cl3N17Ni4O22
InChI=1/C18H16N4O2.3C18H15N4O2.C2H3N.3ClHO.4Ni.11H2O/c4*23-17-10-2-1-6-13(17)12-20-22-18(24)16-9-5-8-15(21-16)14-7-3-4-11-19-14;1-2-3;3*1-2;;;;;;;;;;;;;;;/h1-11,18,22-23H,12H2;1-11H,12H2,(H2-,19,20,21,22,23,24);2*1-11,18,23H,12H2;1H3;3*2H;;;;;11*1H2/q-2;-1;2*-3;;;;;+2;2*+3;+6;;;;;;;;;;;/p-5
| Identification Number: | 10.5258/ecrystals/974 |
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| Controlled Keywords: | zinc compounds, nickel compounds, supramolecular assemblies |
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| Date Created: | 23 March 2003 |
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| Deposited On: | 08 Nov 2013 16:26 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C74 H52 Cl3 N17 Ni4 O22 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 17.5385(2) |
| Cell length b | 23.9347(3) |
| Cell length c | 19.7227(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 93.9730(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0962 |
| R Factor (Obs) | 0.0762 |
| R Factor (All) | 0.1201 |
| Weighted R Factor (Obs) | 0.1911 |
| Weighted R Factor (All) | 0.2125 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/974)
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