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trans-bis(1,2-bis(Diphenylphosphino)ethane-κ2P,P')-bis(4-(trinethylsilyl)buta-1,3-diynyl)-ruthenium(ii)

Sample Originator: Michael B. Hursthouse, Mark E. Light, Simon J. Coles, B. J. Coe, N. J. Brookes and J. N. Anderson.

C66H66P4RuSi2

InChI=1/2C26H24P2.2C7H9Si.Ru/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-5-6-7-8(2,3)4;/h2*1-20H,21-22H2;2*2-4H3;

Identification Number:10.5258/ecrystals/133
Date Created:29 March 2001
Deposited On:21 Jan 2008 15:29
Deposited By:A.N. Admin

Depositor Comments

http://journals.iucr.org/c/issues/2003/06/00/sk1628/index.html

Data collection parameters

Chemical formulaC66 H66 P4 Ru Si2
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a12.677(3)
Cell length b16.058(3)
Cell length c16.085(3)
Cell angle alpha110.32(3)
Cell angle beta93.16(3)
Cell angle gamma96.36(3)
Data collection temperature150(2)

Refinement results

Solution figure of merit0.0574
R Factor (Obs)0.0460
R Factor (All)0.0753
Weighted R Factor (Obs)0.1093
Weighted R Factor (All)0.1216

Citation: Hursthouse, Michael B. and Light, Mark E. and Coles, Simon J. and Coe, B. J. and Brookes, N. J. and Anderson, J. N. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/133)
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Available Files

Final Result

01src294.CIF25k
01src294.cml18k

Validation

01src294_checkcif.htm10k

Refinement

01src294.res17k
01src294_xl.lst89k

Solution

01src294.PRP4k
01src294_xs.lst94k

Processing

01SRC294.htm7k
01src294.HKL1251k

Other Files

01src294.doc119k
01src294.mol10k
01src294_ellipsoid.gif28k

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