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03SRC655 - C24H24Cl2Cu2N10O12

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

C24H24Cl2Cu2N10O12

InChI=1/C12H9N5.ClHO.Cu.5H2O/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10;1-2;;;;;;/h1,3-8H,2H2;2H;;5*1H2/q-2;;+2;;;;;

Identification Number:10.5258/ecrystals/986
Controlled Keywords:supramolecular assemblies, copper compounds
Date Created:17 October 2003
Deposited On:08 Nov 2013 16:34
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC24 H24 Cl2 Cu2 N10 O12
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a9.3024(5)
Cell length b9.7983(6)
Cell length c10.0972(6)
Cell angle alpha110.719(2)
Cell angle beta109.620(2)
Cell angle gamma102.964(2)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0933
R Factor (Obs)0.0532
R Factor (All)0.0841
Weighted R Factor (Obs)0.1325
Weighted R Factor (All)0.1470

Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/986)
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