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91MH51 - C7H26B11N

Sample Originator: John N. Morrisa.

Data Collection: Mary Harmanb and Michael B. Hursthousec

Structure Determination: Mary Harmanb.

University of Strathclydea
University of Wales, Cardiffb
University of Southamptonc

C7H26B11N

InChI=1/C6H16B2N.C6H17BN.CH3B.CH4.B6H8.2B4H6.B3H3.BH3/c1-5(2)9(8-7)6(3)4;1-5(2)8(7)6(3)4;1-2;;1-3-5-6-4-2;2*1-3-4-2;1-2-3-1;/h5-7,9H,1-4H3;5-6,8H,7H2,1-4H3;2H,1H2;1H4;3-6H,1-2H2;2*3-4H,1-2H2;1-3H;1H3

Controlled Keywords:boron compounds
Date Created:09 June 1991
Deposited On:16 Feb 2010 11:53
Deposited By:Mr Steve Lamond

Depositor Comments

Recovered from floppy disk so no metadata available. Poor data quality. (wR2=25%)

Data collection parameters

Chemical formulaC7 H26 B11 N
Crystal morphology
Crystal systemOrthorhombic
Space group symbolPca21
Cell length a17.519(6)
Cell length b12.865(6)
Cell length c13.780(3)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0873
R Factor (All)0.1132
Weighted R Factor (Obs)0.2235
Weighted R Factor (All)0.2428

Citation: Morris, John N. and Harman, Mary and Hursthouse, Michael B. (1991) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1030/)
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Available Files

Final Result

91MH51.cif28k
91MH51.cml12k
91MH51.fcf114k

Validation

91MH51_checkcif.htm12k

Refinement

91MH51.res13k

Processing

91MH51.hkl463k

Other Files

91MH51.inchi3k
91MH51.ins10k
91MH51.mol6k
91MH51.pcf2k
91MH51_ellipsoid.gif23k

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