Crystal structure of trans-carbonylchlorobis-(tricyclohexylphosphine)iridium(I), trans-Ir(CO)Cl-[P(cyclo-C6H11)3]2, a disordered species

Melvyn Rowen Churchill; Charles H. Lake; Cynthia A. Miller; Jim D. Atwood

doi:10.1007/BF01666737

Crystal structure of trans-carbonylchlorobis-(tricyclohexylphosphine)iridium(I), trans-Ir(CO)Cl-[P(cyclo-C₆H₁₁)₃]₂, a disordered species

Melvyn Rowen Churchill
, Charles H. Lake
, Cynthia A. Miller
, Jim D. Atwood

Chemistry

SUNY Buffalo

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

The title compound crystallizes in the centrosymmetric triclinic space group {Mathematical expression}(C₁^l; No.2) with a=9.9143(10) Å, b=10.2616(11) Å, c=10.7715(10) Å, α=113.887(8)°, β=109.197(8)°, γ=90.699(9)°, V=932.78(17) Å³ and Z=1. A total of 4869 data were collected and merged to a set of 2450 independent reflections; the structure was solved and refined to R=1.42% and wR=1.94%. The molecule lies on a site of {Mathematical expression} symmetry and is disordered, with obvious scrambling of carbonyl and chloride ligands. Resulting bond lengths include Ir-P=2.339(1) Å, Ir-Cl=2.398(4) Å and Ir-CO=1.808(15) Å.

Original language	English
Pages (from-to)	557-560
Number of pages	4
Journal	Journal of Chemical Crystallography
Volume	24
Issue number	8
DOIs	https://doi.org/10.1007/BF01666737
State	Published - Aug 1994

Keywords

Centrosymmetric
crystal structure
symmetry

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10.1007/BF01666737

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@article{ea19d2ce580847d395c1afc60ad3a89e,

title = "Crystal structure of trans-carbonylchlorobis-(tricyclohexylphosphine)iridium(I), trans-Ir(CO)Cl-[P(cyclo-C6H11)3]2, a disordered species",

abstract = "The title compound crystallizes in the centrosymmetric triclinic space group \{Mathematical expression\}(C1l; No.2) with a=9.9143(10) {\AA}, b=10.2616(11) {\AA}, c=10.7715(10) {\AA}, α=113.887(8)°, β=109.197(8)°, γ=90.699(9)°, V=932.78(17) {\AA}3 and Z=1. A total of 4869 data were collected and merged to a set of 2450 independent reflections; the structure was solved and refined to R=1.42\% and wR=1.94\%. The molecule lies on a site of \{Mathematical expression\} symmetry and is disordered, with obvious scrambling of carbonyl and chloride ligands. Resulting bond lengths include Ir-P=2.339(1) {\AA}, Ir-Cl=2.398(4) {\AA} and Ir-CO=1.808(15) {\AA}.",

keywords = "Centrosymmetric, crystal structure, symmetry",

author = "Churchill, \{Melvyn Rowen\} and Lake, \{Charles H.\} and Miller, \{Cynthia A.\} and Atwood, \{Jim D.\}",

year = "1994",

month = aug,

doi = "10.1007/BF01666737",

language = "English",

volume = "24",

pages = "557--560",

journal = "Journal of Chemical Crystallography",

issn = "1074-1542",

publisher = "Springer",

number = "8",

}

TY - JOUR

T1 - Crystal structure of trans-carbonylchlorobis-(tricyclohexylphosphine)iridium(I), trans-Ir(CO)Cl-[P(cyclo-C6H11)3]2, a disordered species

AU - Churchill, Melvyn Rowen

AU - Lake, Charles H.

AU - Miller, Cynthia A.

AU - Atwood, Jim D.

PY - 1994/8

Y1 - 1994/8

N2 - The title compound crystallizes in the centrosymmetric triclinic space group {Mathematical expression}(C1l; No.2) with a=9.9143(10) Å, b=10.2616(11) Å, c=10.7715(10) Å, α=113.887(8)°, β=109.197(8)°, γ=90.699(9)°, V=932.78(17) Å3 and Z=1. A total of 4869 data were collected and merged to a set of 2450 independent reflections; the structure was solved and refined to R=1.42% and wR=1.94%. The molecule lies on a site of {Mathematical expression} symmetry and is disordered, with obvious scrambling of carbonyl and chloride ligands. Resulting bond lengths include Ir-P=2.339(1) Å, Ir-Cl=2.398(4) Å and Ir-CO=1.808(15) Å.

AB - The title compound crystallizes in the centrosymmetric triclinic space group {Mathematical expression}(C1l; No.2) with a=9.9143(10) Å, b=10.2616(11) Å, c=10.7715(10) Å, α=113.887(8)°, β=109.197(8)°, γ=90.699(9)°, V=932.78(17) Å3 and Z=1. A total of 4869 data were collected and merged to a set of 2450 independent reflections; the structure was solved and refined to R=1.42% and wR=1.94%. The molecule lies on a site of {Mathematical expression} symmetry and is disordered, with obvious scrambling of carbonyl and chloride ligands. Resulting bond lengths include Ir-P=2.339(1) Å, Ir-Cl=2.398(4) Å and Ir-CO=1.808(15) Å.

KW - Centrosymmetric

KW - crystal structure

KW - symmetry

UR - https://www.scopus.com/pages/publications/21844492244

U2 - 10.1007/BF01666737

DO - 10.1007/BF01666737

M3 - Article

AN - SCOPUS:21844492244

SN - 1074-1542

VL - 24

SP - 557

EP - 560

JO - Journal of Chemical Crystallography

JF - Journal of Chemical Crystallography

IS - 8

ER -

Crystal structure of trans-carbonylchlorobis-(tricyclohexylphosphine)iridium(I), trans-Ir(CO)Cl-[P(cyclo-C₆H₁₁)₃]₂, a disordered species

Abstract

Keywords

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