trans-Carbonylchloridobis(ethyldiphenylphosphine-κP)rhodium(I)

This material is Open Knowlege

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Publisher: Acta Crystallographica
Journal: Section E
Year/Issue: 2008/01-00

Article (via DOI): 10.1107/S1600536807065877
Compound Class:organometallic
Date Recorded:2007-11-21

Contact Author: Brian R. James
e-mail: brj@chem.ubc.ca

Data collection parameters

Chemical formula sum
Chemical formula moiety
Crystal systemmonoclinic
Space group H-MP 21
Space group Hall
Data collection temperature173.0

Refinement results

R Factor (Obs)0.0374
R Factor (All)0.0711
Weighted R Factor (Obs)0.0685
Weighted R Factor (All)0.08

Available Resources

Crystal Components

Moieties

Result files

Raw CML
Complete CML
CIF (cached / original)

Validation

CheckCIF

Images

Ellipsoid

The structure displayed is the major occupied structure from the crystal.

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InChI:

InChI=1/4C14H15P.2CO.2ClH.2Rh/c4*1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;2*1-2;;;;/h4*3-12H,2H2,1H3;;;2*1H;;/q;;;;;;;;2*-2/p+2

SMILES:

[H]C=1C([H])=C([H])C(=C([H])C=1([H]))P(C=2C([H])=C([H])C([H])=C([H])C=2([H]))(C([H])([H])C([H])([H])[H])[Rh]([C-]#[O+])([Cl-])P(C=3C([H])=C([H])C([H])=C([H])C=3([H]))(C4=C([H])C([H])=C([H])C([H])=C4([H]))C([H])([H])C([H])([H])[H].[H]C=1C([H])=C([H])C(=C([H])C=1([H]))P(C2=C([H])C([H])=C([H])C([H])=C2([H]))(C([H])([H])C([H])([H])[H])[Rh]([C-]#[O+])([Cl-])P(C=3C([H])=C([H])C([H])=C([H])C=3([H]))(C=4C([H])=C([H])C([H])=C([H])C=4([H]))C([H])([H])C([H])([H])[H]