Inorganic Solid Phases

K6[{Os(CO)Cl5}{fac-Os(CO)3Cl3}4] (K6Os5Cl17[CO]13, T = 143 K) Crystal Structure

General Information

  • Phase Label(s): K6Os5Cl17[CO]13
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR390
  • Space Group: 167
  • Phase Prototype: K6Os5Cl17[CO]13
  • Measurement Detail(s): automatic diffractometer; Siemens P3/PC (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters), T = 143 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonyl, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1228 reflections; I > 4σ(I), R = 0.054; wR = 0.055
  • Sample Detail(s): chemical analysis; composition confirmed, single crystal, 0.3×0.2×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K6Os5Cl17[CO]13
  • Alphabetic Formula: [CO]13Cl17K6Os5
  • Published Formula: K6[{Os(CO)Cl5}{fac-Os(CO)3Cl3}4]
  • Refined Formula: C13.02Cl16.98K6O13.02Os5
  • Wyckoff Sequence: 167,f10c2b
  • Z Formula Units: 6
  • Density: ρ = 3.09 Mg·m−3

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_0544835

  • 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

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