Structure 4134681

4134679 << 4134681 >> 4134684
Original COD entry Download CIF Download DOT

Citation: Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R. (2020). Machine-Learning-Assisted Synthesis of Polar Racemates.. Journal of the American Chemical Society, 142, pp. 7555-7566.

Formula: C10 H12 Cu F6 N2 O2 Ti

Cell parameters:

  • a = 7.72700(10) Å
  • b = 14.3219(3) Å
  • c = 12.3521(3) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C10 H12 Cu F6 N2 O2 Ti (C10 H12 Cu F6 N2 O2 Ti)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C10 H12 Cu F6 N2 O2 Ti (C10 H12 Cu F6 N2 O2 Ti)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C10 H12 Cu F6 N2 O2 Ti (C10 H12 Cu F6 N2 O2 Ti)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C10 H12 Cu F6 N2 O2 Ti (C10 H12 Cu F6 N2 O2 Ti)

Multiplicity: 1

span 1 {1 1 1}