Inorganic Solid Phases

[Os4(μ-H)4(CO)12(μ-NH2)][CF3SO3] (H4Os4[CF3SO3][NH2][CO]12) Crystal Structure

General Information

  • Phase Label(s): H4Os4[CF3SO3][NH2][CO]12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP148
  • Space Group: 33
  • Phase Prototype: H4Os4[CF3SO3][NH2][CO]12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonyl, triflate, amide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 208 variables; 2403 reflections; I > 1.5σ(I), R = 0.040; wR = 0.028
  • Sample Detail(s): sample prepared from Os4[μ-H]3[CO]12[μ-NH2], [CF3SO3H], chemical analysis; 12.4 wt.% C, 1.09 wt.% N, 0.46 wt.% H, single crystal (determination of cell parameters), single crystal, 0.17×0.25×0.26 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H4Os4[CF3SO3][NH2][CO]12
  • Alphabetic Formula: [CF3SO3][CO]12H4[NH2]Os4
  • Published Formula: [Os4(μ-H)4(CO)12(μ-NH2)][CF3SO3]
  • Refined Formula: C13F3H6NO15Os4S
  • Wyckoff Sequence: 33,a37
  • Z Formula Units: 4
  • Density: ρ = 3.25 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812617

  • 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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