Structure 1511045

1511044 << 1511045 >> 1511046
Original COD entry Download CIF Download DOT

Citation: Rohm, H.W.; Koeckerling, M. (2003). New double salts with boron-centered zirconium clusters: syntheses and structures of Cs (Zr Cl5) * Cs2 ((Zr6 B) X15) (X = Cl or (Cl + I)) and anion distribution in the mixed halide phase. Zeitschrift fuer Anorganische und Allgemeine Chemie, 629, pp. 2356-2362.

Formula: B Cl19.57 Cs3 I0.43 Zr7

Chemical name: Cs (Zr Cl5) Cs2 ((Zr6 B) Cl14.57 I0.43)

Cell parameters:

  • a = 12.777 Å
  • b = 12.777 Å
  • c = 34.668 Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: B6 Cl90 Cs54 I18 Zr36 (B Cl15 Cs9 I3 Zr6)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 8, 40, 66, 56, 174, 232, 186, 410
  • 2, 15, 19, 38, 89, 95, 150, 243, 225, 393
  • 3, 5, 24, 55, 61, 118, 203, 209, 302, 433
  • 3, 20, 38, 30, 108, 158, 120, 296, 342, 298
  • 5, 22, 36, 36, 120, 148, 130, 334, 342, 272
  • 6, 24, 18, 78, 102, 72, 234, 246, 222, 536
  • 11, 20, 27, 74, 97, 122, 229, 234, 317, 502
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