Inorganic Solid Phases

C5Cl6NSCF3 ([CF3]C5SNCl6) Crystal Structure

General Information

  • Phase Label(s): [CF3]C5SNCl6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP68
  • Space Group: 14
  • Phase Prototype: [CF3]C5SNCl6
  • Measurement Detail(s): automatic diffractometer (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 4671 reflections, R = 0.083; wR = 0.081
  • Sample Detail(s): sample prepared from (CH3)3SiN3, C5Cl6, CF3SCl, chemical analysis; 18.6 wt.% C, 3.6 wt.% N, 8.3 wt.% S, 54.9 wt.% Cl, single crystal, 0.8×1.0×1.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [CF3]C5SNCl6
  • Alphabetic Formula: C5[CF3]Cl6NS
  • Published Formula: C5Cl6NSCF3
  • Refined Formula: C6Cl6F3NS
  • Wyckoff Sequence: 14,e17
  • Z Formula Units: 4
  • Density: ρ = 1.99 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_1022813

  • 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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