Inorganic Solid Phases

Cu[CF3-C(NH)-CF=C(NH)-CF3]2, γ2 (CuC10[NH]4F14 lt, T = 100(2) K) Crystal Structure

General Information

  • Phase Label(s): CuC10[NH]4F14 lt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP116
  • Space Group: 86
  • Phase Prototype: CuC10[NH]4F14
  • Measurement Detail(s): automatic diffractometer; 6431 (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 100(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 133 variables; 1749 reflections; I > 2σ(I), R = 0.030; wR = 0.070
  • Sample Detail(s): sample prepared from 2-amino-4-iminoperfluoropent-2-ene, (CH3COO)2Cu, single crystal (determination of cell parameters), single crystal, 0.04×0.04×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CuC10[NH]4F14
  • Alphabetic Formula: C10CuF14[NH]4
  • Published Formula: Cu[CF3-C(NH)-CF=C(NH)-CF3]2, γ2
  • Refined Formula: C10CuF14H4N4
  • Wyckoff Sequence: 86,g14c
  • Z Formula Units: 4
  • Density: ρ = 2.16 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_1935714

  • 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

    Citation copied