Inorganic Solid Phases

[Ir(CO)5Cl[Sb2F11]2 (IrSb4ClF22[CO]5) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): IrSb4ClF22[CO]5
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mP76
  • Space Group: 4
  • Phase Prototype: RhSb4ClF22[CO]5
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Rigaku AFC6S (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), T = 294 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbonyl, chloride, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 343 variables; 3218 reflections; I > 3σ(I), R = 0.032; wR = 0.031
  • Sample Detail(s): sample prepared from mer-(Ir[CO]3[SO3F]3), magic acid, single crystal (determination of cell parameters), single crystal, 0.20×0.40×0.45 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: IrSb4ClF22[CO]5
  • Alphabetic Formula: [CO]5ClF22IrSb4
  • Published Formula: [Ir(CO)5Cl[Sb2F11]2
  • Refined Formula: C5ClF22IrO5Sb4
  • Wyckoff Sequence: 4,a38
  • Z Formula Units: 2
  • Density: ρ = 3.45 Mg·m−3
View 3D Interactive Structure

Cite this page

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1902046

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

    • Cite this content

    Download this citation

    Citation copied