Structure 7701939

7701938 << 7701939 >> 7701940
Original COD entry Download CIF Download DOT

Citation: Saha, Sandeepta; Biswas, Niladri; Sasmal, Ashok; G\'omez-Garc\'ia, Carlos J; Garribba, Eugenio; Bauza, Antonio; Frontera, Antonio; Pilet, Guillaume; Rosair, Georgina M.; Mitra, Samiran; Roy Choudhury, Chirantan (2018). Effect of temperature and ligand protonation on the electronic ground state in Cu(ii) polymers having unusual secondary interactions: a magnetic and catechol oxidase study.. Dalton transactions (Cambridge, England : 2003), 47, pp. 16102-16118.

Formula: C14 H12 Cu N2 O6

Cell parameters:

  • a = 18.503(3) Å
  • b = 17.141(3) Å
  • c = 8.8358(13) Å
  • α = 90°
  • β = 91.932(7)°
  • γ = 90°

List type: interleaving

List: 2D

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 2

Basis: (1;0;0 0;0;1)

Dimensionality: 2

Formula: C56 H32 Cu4 N8 O16 (C14 H8 Cu N2 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 8, 9, 12, 17, 20, 29, 32
  • 1, 2, 4, 3, 3, 4, 5, 8, 9, 18
  • 1, 2, 4, 3, 5, 5, 7, 9, 18, 20
  • 1, 2, 4, 5, 4, 7, 15, 19, 27, 31
  • 1, 2, 4, 5, 5, 5, 8, 9, 18, 18
  • 1, 2, 4, 5, 6, 10, 14, 23, 25, 33
  • 1, 2, 4, 7, 6, 7, 9, 18, 20, 22
  • 1, 2, 4, 7, 9, 9, 18, 22, 30, 35
  • 1, 2, 4, 8, 9, 9, 9, 16, 21, 27
  • 2, 6, 8, 13, 13, 18, 24, 24, 35, 41
  • 2, 6, 8, 15, 17, 22, 22, 25, 33, 36
  • 2, 6, 9, 16, 17, 21, 22, 26, 35, 39
  • 3, 3, 8, 9, 12, 17, 20, 29, 32, 40
  • 3, 4, 3, 3, 4, 5, 8, 9, 18, 18
  • 3, 4, 3, 5, 5, 7, 9, 18, 20, 22
  • 3, 4, 5, 4, 7, 15, 19, 27, 31, 39
  • 3, 4, 5, 5, 5, 8, 9, 18, 18, 25
  • 3, 4, 5, 6, 10, 14, 23, 25, 33, 37
  • 3, 4, 7, 6, 7, 9, 18, 20, 22, 30
  • 3, 4, 7, 9, 9, 18, 22, 30, 35, 39
  • 3, 4, 8, 9, 9, 9, 16, 21, 27, 35
  • 3, 4, 11, 14, 18, 19, 25, 27, 31, 44
  • 3, 6, 4, 7, 13, 14, 22, 28, 37, 37
  • 3, 6, 6, 10, 12, 18, 20, 29, 32, 34
  • 3, 6, 7, 6, 8, 9, 18, 18, 25, 32
  • 3, 6, 10, 8, 13, 17, 26, 29, 34, 42
  • 3, 8, 8, 8, 9, 18, 20, 22, 30, 36
  • 3, 8, 8, 12, 11, 16, 21, 27, 35, 39
  • 5, 7, 11, 12, 19, 20, 22, 30, 36, 45
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;0 0;0;1)

Dimensionality: 2

Formula: C56 H32 Cu4 N8 O16 (C14 H8 Cu N2 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 8, 9, 12, 17, 20, 29, 32
  • 1, 2, 4, 3, 3, 4, 5, 8, 9, 18
  • 1, 2, 4, 3, 5, 5, 7, 9, 18, 20
  • 1, 2, 4, 5, 4, 7, 15, 19, 27, 31
  • 1, 2, 4, 5, 5, 5, 8, 9, 18, 18
  • 1, 2, 4, 5, 6, 10, 14, 23, 25, 33
  • 1, 2, 4, 7, 6, 7, 9, 18, 20, 22
  • 1, 2, 4, 7, 9, 9, 18, 22, 30, 35
  • 1, 2, 4, 8, 9, 9, 9, 16, 21, 27
  • 2, 6, 8, 13, 13, 18, 24, 24, 35, 41
  • 2, 6, 8, 15, 17, 22, 22, 25, 33, 36
  • 2, 6, 9, 16, 17, 21, 22, 26, 35, 39
  • 3, 3, 8, 9, 12, 17, 20, 29, 32, 40
  • 3, 4, 3, 3, 4, 5, 8, 9, 18, 18
  • 3, 4, 3, 5, 5, 7, 9, 18, 20, 22
  • 3, 4, 5, 4, 7, 15, 19, 27, 31, 39
  • 3, 4, 5, 5, 5, 8, 9, 18, 18, 25
  • 3, 4, 5, 6, 10, 14, 23, 25, 33, 37
  • 3, 4, 7, 6, 7, 9, 18, 20, 22, 30
  • 3, 4, 7, 9, 9, 18, 22, 30, 35, 39
  • 3, 4, 8, 9, 9, 9, 16, 21, 27, 35
  • 3, 4, 11, 14, 18, 19, 25, 27, 31, 44
  • 3, 6, 4, 7, 13, 14, 22, 28, 37, 37
  • 3, 6, 6, 10, 12, 18, 20, 29, 32, 34
  • 3, 6, 7, 6, 8, 9, 18, 18, 25, 32
  • 3, 6, 10, 8, 13, 17, 26, 29, 34, 42
  • 3, 8, 8, 8, 9, 18, 20, 22, 30, 36
  • 3, 8, 8, 12, 11, 16, 21, 27, 35, 39
  • 5, 7, 11, 12, 19, 20, 22, 30, 36, 45
span 1 {1 1 1}