C~43~H~43~ClIrN~2~OP

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

C₄₃H₄₃ClIrN₂OP

InChI=1/2C35H31N2OP.2C8H13.2ClH.2Ir/c2*1-24-21-32-33(22-25(24)2)37-31(23-30(36-32)28-17-9-11-19-34(28)38)29-18-10-12-20-35(29)39(26-13-5-3-6-14-26)27-15-7-4-8-16-27;2*1-2-4-6-8-7-5-3-1;;;;/h2*3-22,31,37-38H,23H2,1-2H3;2*1-2,7H,3-6,8H2;2*1H;;/b;;2*2-1-;;;;/t2*31-;;;;;;/m11....../s1

Controlled Keywords:	polyphosphines
Date Created:	13 June 2002
Deposited On:	16 Feb 2010 14:33
Deposited By:	Mr Steve Lamond

Depositor Comments

All hydrogen atoms were placed in idealised positions and refined using a riding model.

Data collection parameters

Chemical formula	C43 H43 Cl Ir N2 O P
Crystal morphology
Crystal system	Triclinic
Space group symbol	p-1
Cell length a	9.778(5)
Cell length b	18.378(5)
Cell length c	22.542(5)
Cell angle alpha	75.970(5)
Cell angle beta	78.762(5)
Cell angle gamma	74.836(5)
Data collection temperature	120(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0461
R Factor (All)	0.0659
Weighted R Factor (Obs)	0.1020
Weighted R Factor (All)	0.1081

Citation: Smith, Martin B. and Light, Mark E. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1144/)
Export as: oreChem EndNote BibTeX ASCII Citation