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
C44H46Cl4N16Ni2O21
InChI=1/2C22H20N8.4ClHO.2Ni.17H2O/c2*23-21(19-11-5-9-17(27-19)15-7-1-3-13-25-15)29-30-22(24)20-12-6-10-18(28-20)16-8-2-4-14-26-16;4*1-2;;;;;;;;;;;;;;;;;;;/h2*1-14,21-22H,23-24H2;4*2H;;;17*1H2/q2*-2;;;;;2*+2;;;;;;;;;;;;;;;;;
| Identification Number: | 10.5258/ecrystals/989 |
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| Controlled Keywords: | nickel compounds, supramolecular assemblies |
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| Date Created: | 06 April 2004 |
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| Deposited On: | 28 Mar 2012 12:53 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C44 H46 Cl4 N16 Ni2 O21 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pna2(1) |
| Cell length a | 25.809(5) |
| Cell length b | 11.899(5) |
| Cell length c | 17.357(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.2028 |
| R Factor (Obs) | 0.0810 |
| R Factor (All) | 0.1288 |
| Weighted R Factor (Obs) | 0.1720 |
| Weighted R Factor (All) | 0.1905 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/989)
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