00SRC302(633) - c₂₉H₂₈Cl₂IrN₂PS₂

Sample Originator: Martin B. Smith^a.

Data Collection: Mark E. Light^b and Michael B. Hursthouse^b

Structure Determination: Mark E. Light^b.

Loughborough University^a
University of Southampton^b

c₂₉H₂₈Cl₂IrN₂PS₂

InChI=1/C19H16ClN2PS2.C10H15.ClH.Ir/c20-14-11-12-17-18(13-14)25-19(21-17)22-23(24,15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-6-7(2)9(4)10(5)8(6)3;;/h1-13,23-24H,(H,21,22);1-5H3;1H;

Date Created:	01 August 2000
Deposited On:	23 Dec 2014 13:02
Deposited By:	Mr Steve Lamond

Data collection parameters

Chemical formula	C29 H28 Cl2 Ir N2 P S2
Crystal morphology
Crystal system	Monoclinic
Space group symbol	P2(1)/n
Cell length a	7.97970(10)
Cell length b	16.1834(2)
Cell length c	21.5337(3)
Cell angle alpha	90.00
Cell angle beta	90.4090(10)
Cell angle gamma	90.00
Data collection temperature	150(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0271
R Factor (All)	0.0337
Weighted R Factor (Obs)	0.0624
Weighted R Factor (All)	0.0650

Citation: Smith, Martin B. and Light, Mark E. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/738/)
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Available Files

Final Result

00SRC302.cif	19k
00SRC302.cml	9k

Validation

00SRC302_checkcif.htm

Refinement

00SRC302.res

Processing

00SRC302.HKL	859k
00SRC302.HTM	6k

Other Files

00SRC302.DOC	74k
00SRC302.inchi	3k
00SRC302.mol	5k
00SRC302_ellipsoid.gif	25k

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00SRC302(633) - c29H28Cl2IrN2PS2