C~52~H~48~ClNOP~4~Ru, 2(F~6~P), 2(C~2~H~3~N)'

Sample Originator: B. J. Coe^a.

Data Collection: Mark E. Light^b, Michael B. Hursthouse^b and Simon J. Coles^b

Structure Determination: Mark E. Light^b.

University of Manchester^a
University of Southampton^b

C₅₆H₅₄ClF₁₂N₃OP₆Ru

InChI=1/2C13H13P.C2H3N.ClH.F5P.FH.H2NO.Ru/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3;;1-6(2,3,4)5;;1-2;/h2*2-11H,1H3;1H3;1H;;1H;1-2H;/q;;;;;;-1;/p+1

Controlled Keywords:	molecular electronics, ruthenium compounds
Date Created:	14 March 2002
Deposited On:	03 Sep 2015 16:44
Deposited By:	Mr Steve Lamond

Data collection parameters

Chemical formula	C56 H54 Cl F12 N3 O P6 Ru
Crystal morphology
Crystal system	monoclinic
Space group symbol	C2/c
Cell length a	17.5733(7)
Cell length b	14.6043(6)
Cell length c	22.9086(12)
Cell angle alpha	90.00
Cell angle beta	92.036(2)
Cell angle gamma	90.00
Data collection temperature	120(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0953
R Factor (All)	0.1494
Weighted R Factor (Obs)	0.2515
Weighted R Factor (All)	0.2914

Citation: Coe, B. J. and Light, Mark E. and Hursthouse, Michael B. and Coles, Simon J. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1082/)
Export as: oreChem EndNote BibTeX ASCII Citation

Available Files

Final Result

02SRC131.cif	19k
02SRC131.cml	10k
02SRC131.fcf	205k

Validation

02SRC131_checkcif.htm

14k

Refinement

02SRC131.res

12k

Solution

02SRC131.PRP

Processing

02SRC131.HKL

490k

Other Files

02SRC131.GIF	109k
02SRC131.P4P	1k
02SRC131.PCF	2k
02SRC131.inchi	3k
02SRC131.ins	8k
02SRC131.mol	5k
02SRC131_ellipsoid.gif	37k

This item is embargoed, The embargo will be lifted on 03 December 2022. This is only viewable by the authors and respository staff, If you would like to show this item to a guest, share this url: http://ecrystals.chem.soton.ac.uk/1082/?key=8c9c486b945da9cd7934353987d279f3

Repository Staff Only: item control page