03SRC0366 - C₄₉H₄₈Cl₆N₅O_0.50PRu

Sample Originator: Andreas A. Danopoulos^a.

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

Structure Determination: Simon J. Coles^a.

University of Southampton^a

C₄₉H₄₈Cl₆N₅O_0.50PRu

InChI=1/C29H29N5.C18H15P.2CH2Cl2.2ClH.H2O.Ru/c1-20-14-22(3)28(23(4)15-20)33-12-10-31(18-33)26-8-7-9-27(30-26)32-11-13-34(19-32)29-24(5)16-21(2)17-25(29)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*2-1-3;;;;/h7-17H,1-6H3;1-15H;2*1H2;2*1H;1H2;/q;;;;;;;+1/p-1

Identification Number:	10.5258/ecrystals/887
Controlled Keywords:	small crystals, ruthenium compounds
Date Created:	01 July 2003
Deposited On:	08 Nov 2013 16:30
Deposited By:	Mr Steve Lamond

Data collection parameters

Chemical formula	C49 H48 Cl6 N5 O0.50 P Ru
Crystal morphology
Crystal system	Monoclinic
Space group symbol	P2(1)/c
Cell length a	20.561(4)
Cell length b	18.024(3)
Cell length c	13.845(3)
Cell angle alpha	90.00
Cell angle beta	102.444(4)
Cell angle gamma	90.00
Data collection temperature	120(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0806
R Factor (All)	0.1048
Weighted R Factor (Obs)	0.2084
Weighted R Factor (All)	0.2379

Citation: Danopoulos, Andreas A. and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/887)
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Available Files

Final Result

02SRC366.CIF	26k
02SRC366.cml	15k

Validation

02SRC366_checkcif.htm

11k

Refinement

02SRC366.res

14k

Processing

02SRC366.HKL

1061k

Other Files

02SRC366.DOC	133k
02SRC366.INS	13k
02SRC366.inchi	4k
02SRC366.mol	8k
02SRC366_ellipsoid.gif	30k

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03SRC0366 - C49H48Cl6N5O0.50PRu