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98SRC189(1121) - C27H47Cl4FeNP2Pd

Sample Originator: Ian R. Butlera.

Data Collection: Mark E. Lightb and Michael B. Hursthouseb

Structure Determination: Mark E. Lightb.

University of Wales, Bangora
University of Southamptonb

C27H47Cl4FeNP2Pd

InChI=1/C15H30NP.C11H21P.CH2Cl2.2ClH.Fe.Pd/c1-11(2)17(12(3)4)15-10-8-9-14(15)13(5)16(6)7;1-9(2)12(10(3)4)11-7-5-6-8-11;2-1-3;;;;/h8-9,11-14,17H,10H2,1-7H3;5-6,9-10,12H,7-8H2,1-4H3;1H2;2*1H;;/q2*+1;;;;;/p-2/t13-,14+;;;;;;/m1....../s1

Identification Number:10.5258/ecrystals/745
Date Created:18 September 1998
Deposited On:14 Aug 2013 23:47
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC27 H47 Cl4 Fe N P2 Pd
Crystal morphology
Crystal systemOrthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a13.5430(5)
Cell length b14.9910(9)
Cell length c16.0090(10)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0538
R Factor (All)0.0730
Weighted R Factor (Obs)0.1009
Weighted R Factor (All)0.1108

Citation: Butler, Ian R. and Light, Mark E. and Hursthouse, Michael B. (1998) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/745)
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Available Files

Final Result

98SRC189.cif22k
98SRC189.cml12k

Validation

98SRC189_checkcif.htm11k

Refinement

98SRC189.res12k

Processing

98SRC189.HKL262k

Other Files

98SRC189.doc50k
98SRC189.inchi3k
98SRC189.mol6k
98SRC189_ellipsoid.gif26k

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