Structure 7243100

7243099 << 7243100 >> 7243101
Original COD entry Download CIF Download DOT

Citation: Qiu, Qi-Ming; Yang, Guo-Yu (2021). From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates. CrystEngComm, 23, pp. 5200-5207.

Formula: B12 H13 K O25

Cell parameters:

  • a = 12.243(3) Å
  • b = 12.243(3) Å
  • c = 12.243(3) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

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 1

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

Dimensionality: 3

Formula: B48 O80 (B3 O5)

Multiplicity: 1

Coordination sequences:

  • 2, 5, 5, 11, 10, 21, 19, 41, 37, 71
  • 2, 5, 5, 11, 10, 21, 19, 41, 37, 72
  • 2, 5, 6, 13, 10, 20, 20, 47, 40, 73
  • 3, 3, 8, 9, 17, 12, 29, 33, 64, 43
  • 3, 9, 6, 9, 9, 24, 27, 51, 33, 66
  • 4, 5, 10, 7, 16, 18, 38, 31, 61, 45
span 1 {1 1 1}