98SRC114 (1130) - C_35.6H₃₂Cl₂FeO_1.4P₂Pd

Sample Originator: Ian. R. Butler^a.

Data Collection: Simon J. Coles^b and Michael B. Hursthouse^b

Structure Determination: Simon J. Coles^b.

University of Wales, Bangor^a
University of Southampton^b

C_35.6H₃₂Cl₂FeO_1.4P₂Pd

InChI=1/C17H15OP.C17H14P.C2H6O.C2H6.2ClH.Fe.Pd/c18-19(17-13-7-8-14-17,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-3;1-2;;;;/h1-14,17H;1-14H;3H,2H2,1H3;1-2H3;2*1H;;/q;;;;;;;+1/p-1

Date Created:	19 May 1998
Deposited On:	23 Dec 2014 13:11
Deposited By:	Mr Steve Lamond

Data collection parameters

Chemical formula	C35.60 H32 Cl2 Fe O1.40 P2 Pd
Crystal morphology
Crystal system	Triclinic
Space group symbol	P-1
Cell length a	11.082(2)
Cell length b	13.340(3)
Cell length c	13.783(3)
Cell angle alpha	88.85(3)
Cell angle beta	76.48(3)
Cell angle gamma	72.31(3)
Data collection temperature	293(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0514
R Factor (All)	0.0626
Weighted R Factor (Obs)	0.1443
Weighted R Factor (All)	0.1517

Citation: Butler, Ian. R. and Coles, Simon J. and Hursthouse, Michael B. (1998) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/768/)
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Available Files

Final Result

98src114.cif	20k
98src114.cml	12k

Validation

98src114_checkcif.htm

12k

Refinement

98src114.res

11k

Processing

98SRC114.HKL

228k

Other Files

98SRC114.txt	20k
98src114.inchi	3k
98src114.mol	6k
98src114_ellipsoid.gif	35k

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98SRC114 (1130) - C35.6H32Cl2FeO1.4P2Pd