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
C18H28Cl2N18NiO16
InChI=1/3C6H10N6O2.2ClHO.Ni.8H2O/c3*7-5(11-13)3-1-2-4(10-9-3)6(8)12-14;2*1-2;;;;;;;;;/h3*1-2,5,12-14H,7-8H2;2*2H;;8*1H2/q3*-1;;;+3;;;;;;;;
| Identification Number: | 10.5258/ecrystals/985 |
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| Controlled Keywords: | nickel compounds, supramolecular assemblies |
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| Date Created: | 05 October 2003 |
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| Deposited On: | 08 Nov 2013 15:22 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C18 H28 Cl2 N18 Ni O16 |
| Crystal morphology | |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 11.1391(6) |
| Cell length b | 12.8788(6) |
| Cell length c | 14.1662(6) |
| Cell angle alpha | 63.891(3) |
| Cell angle beta | 68.400(3) |
| Cell angle gamma | 74.367(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0801 |
| R Factor (Obs) | 0.0448 |
| R Factor (All) | 0.0702 |
| Weighted R Factor (Obs) | 0.0986 |
| Weighted R Factor (All) | 0.1079 |
Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/985)
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