Inorganic Solid Phases

[Re3I6(CO)6] (ReI2[CO]2) Crystal Structure

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General Information

  • Phase Label(s): ReI2[CO]2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hR63
  • Space Group: 148
  • Phase Prototype: ReI2[CO]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbonyl, iodide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 23 variables; 490 reflections; I > 3σ(I), R = 0.068; wR = 0.065
  • Sample Detail(s): sample prepared from Re2I2[CO]8, I2, chemical analysis; 4.4 wt.% C, twinned crystal (determination of cell parameters), twinned crystal, 0.03×0.24×0.27 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: ReI2[CO]2
  • Alphabetic Formula: [CO]2I2Re
  • Published Formula: [Re3I6(CO)6]
  • Refined Formula: C2I2O2Re
  • Wyckoff Sequence: 148,f3ca
  • Z Formula Units: 9
  • Density: ρ = 4.85 Mg·m−3
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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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1004495

  • 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)

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