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C~13~H~27~HfSi~2~, C~19~H~3~BF~15~, C~7~H~8~

Sample Originator: Manfred Bochmanna.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University of East Angliaa
University of Southamptonb

C39H38BF15HfSi2

InChI=1/C13H3BF10.C11H23Si2.C7H8.C6HF5.2CH3.Hf/c1-14(2-4(15)8(19)12(23)9(20)5(2)16)3-6(17)10(21)13(24)11(22)7(3)18;1-12(2,3)10-7-8-11(9-10)13(4,5)6;1-7-5-3-2-4-6-7;7-2-1-3(8)5(10)6(11)4(2)9;;;/h1H3;7-8,10H,9H2,1-6H3;2-6H,1H3;1H;2*1H3;/t;10-;;;;;/m.1...../s1

Identification Number:10.5258/ecrystals/1200
Controlled Keywords:coordination chemistry transition metals
Date Created:10 October 1994
Deposited On:16 Feb 2010 13:16
Deposited By:Mr Steve Lamond

Depositor Comments

The electronic files for this structure were recovered from floppy diskette and unfortunately no metadata is available.

Data collection parameters

Chemical formulaC39 H38 B F15 Hf Si2
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a11.289(7)
Cell length b12.891(8)
Cell length c14.531(8)
Cell angle alpha95.06(4)
Cell angle beta95.64(5)
Cell angle gamma105.50(3)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0396
R Factor (All)0.0451
Weighted R Factor (Obs)0.0958
Weighted R Factor (All)0.0971

Citation: Bochmann, Manfred and Coles, Simon J. and Hursthouse, Michael B. (1994) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1200)
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