Structure 4003034

4003033 << 4003034 >> 4003035
Original COD entry Download CIF Download DOT

Citation: Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong (2019). All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways. Chemistry of Materials, 31, pp. 5550-.

Formula: C108 H64 O32 Zr6

Cell parameters:

  • a = 21.4419(8) Å
  • b = 42.3169(10) Å
  • c = 17.9262(5) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 3

Formula: C428 H256 O128 Zr24 (C107 H64 O32 Zr6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 6, 12, 18, 29, 24, 16, 18, 37
  • 1, 2, 6, 13, 17, 15, 22, 23, 34, 40
  • 1, 2, 8, 11, 22, 39, 37, 33, 37, 48
  • 1, 2, 8, 14, 18, 22, 27, 23, 17, 35
  • 1, 3, 7, 13, 15, 10, 27, 36, 52, 50
  • 1, 3, 8, 11, 14, 21, 36, 37, 38, 51
  • 1, 4, 7, 11, 15, 11, 27, 36, 52, 50
  • 1, 4, 10, 11, 12, 27, 31, 38, 40, 54
  • 1, 5, 7, 9, 12, 30, 32, 38, 40, 54
  • 1, 5, 7, 12, 16, 15, 22, 23, 35, 44
  • 1, 5, 8, 14, 19, 29, 22, 14, 20, 23
  • 1, 5, 9, 11, 26, 33, 38, 35, 40, 45
  • 1, 11, 13, 39, 34, 35, 36, 44, 50, 34
  • 2, 3, 8, 16, 22, 31, 26, 17, 17, 20
  • 2, 6, 7, 12, 18, 19, 25, 20, 31, 43
  • 2, 10, 13, 39, 34, 35, 36, 44, 50, 34
  • 2, 13, 35, 32, 27, 38, 52, 44, 28, 40
  • 3, 6, 8, 12, 14, 27, 32, 42, 50, 54
  • 3, 6, 9, 14, 22, 28, 20, 13, 21, 40
  • 3, 6, 12, 18, 29, 24, 16, 18, 37, 43
  • 3, 6, 13, 17, 15, 22, 23, 34, 40, 48
  • 3, 8, 11, 22, 39, 37, 33, 37, 48, 55
  • 3, 8, 14, 18, 22, 27, 23, 17, 35, 42
  • 3, 16, 26, 44, 33, 33, 43, 46, 41, 36
  • 3, 17, 33, 35, 29, 42, 48, 42, 36, 38
  • 4, 7, 13, 15, 10, 27, 36, 52, 50, 51
  • 4, 8, 11, 14, 21, 36, 37, 38, 51, 58
  • 4, 9, 16, 22, 31, 26, 17, 17, 20, 35
  • 4, 31, 25, 34, 39, 46, 38, 32, 48, 46
  • 5, 7, 11, 15, 11, 27, 36, 52, 50, 51
  • 5, 10, 11, 12, 27, 31, 38, 40, 54, 55
  • 5, 11, 24, 26, 18, 22, 18, 22, 18, 16
  • 5, 12, 15, 10, 9, 14, 41, 46, 49, 47
  • 5, 12, 16, 23, 26, 19, 18, 19, 21, 34
  • 5, 19, 34, 41, 31, 32, 43, 43, 40, 40
  • 5, 26, 37, 41, 33, 37, 39, 44, 43, 35
  • 5, 38, 37, 27, 34, 46, 42, 34, 42, 44
  • 6, 7, 9, 12, 30, 32, 38, 40, 54, 55
  • 6, 7, 10, 17, 20, 26, 19, 14, 38, 45
  • 6, 7, 12, 16, 15, 22, 23, 35, 44, 47
  • 6, 8, 14, 19, 29, 22, 14, 20, 23, 35
  • 6, 9, 11, 18, 25, 23, 16, 18, 37, 43
  • 6, 9, 11, 26, 33, 38, 35, 40, 45, 53
  • 6, 9, 29, 31, 35, 37, 40, 40, 39, 48
  • 6, 10, 10, 12, 27, 31, 38, 40, 54, 55
  • 6, 10, 22, 35, 34, 35, 37, 43, 41, 44
  • 6, 11, 14, 13, 14, 23, 24, 38, 43, 45
  • 6, 12, 10, 24, 33, 38, 35, 40, 45, 53
  • 6, 12, 13, 9, 9, 27, 36, 52, 50, 51
  • 6, 12, 28, 24, 16, 12, 28, 24, 16, 12
  • 6, 14, 20, 26, 19, 17, 23, 23, 17, 14
  • 6, 19, 37, 38, 32, 34, 45, 41, 39, 44
  • 6, 29, 36, 35, 34, 43, 45, 39, 37, 44
  • 6, 34, 38, 27, 34, 52, 48, 29, 36, 53
  • 12, 13, 39, 34, 35, 36, 44, 50, 34, 36
  • 14, 36, 32, 27, 38, 52, 44, 28, 40, 52
  • 18, 31, 37, 33, 36, 40, 40, 42, 40, 42
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: C280 H192 O64 Zr12 (C70 H48 O16 Zr3)

Multiplicity: 1

span 1 {1 1 1}