Structure 4116686

4116639 << 4116686 >> 4116736
Original COD entry Download CIF Download DOT

Citation: Dianna M. Young; Urs Geiser; Arthur J. Schultz; H. Hau Wang (1998). Hydrothermal Synthesis of a Dense Metal-Organic Layered Framework That Contains Cu(I)-Olefinic Bonds, Cu2(O2CCHCHCO2). Journal of the American Chemical Society, 120, pp. 1331-1332.

Formula: C12 H6 Cu6 O12

Chemical name: Copper(I) Fumarate'

Cell parameters:

  • a = 5.1085(2) Å
  • b = 8.4464(4) Å
  • c = 9.0987(4) Å
  • α = 98.298(2)°
  • β = 96.627(2)°
  • γ = 104.739(2)°

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: C12 H6 Cu8 O12 (C6 H3 Cu4 O6)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 8, 12, 30, 58, 95, 145, 219, 286
  • 1, 3, 8, 13, 28, 58, 97, 137, 225, 274
  • 1, 4, 16, 35, 68, 91, 126, 206, 280, 370
  • 2, 7, 15, 32, 54, 87, 123, 180, 269, 362
  • 2, 10, 24, 41, 72, 115, 167, 222, 276, 375
  • 3, 7, 21, 41, 63, 106, 175, 229, 295, 392
  • 3, 7, 26, 48, 71, 98, 151, 248, 313, 404
  • 3, 8, 21, 41, 65, 105, 181, 218, 301, 391
  • 3, 9, 16, 30, 53, 98, 136, 188, 286, 386
  • 3, 10, 25, 46, 72, 124, 164, 229, 299, 387
  • 4, 8, 12, 30, 58, 95, 145, 219, 286, 360
  • 4, 8, 13, 28, 58, 97, 137, 225, 274, 363
  • 4, 13, 33, 49, 86, 138, 180, 246, 315, 402
  • 4, 13, 33, 49, 86, 139, 181, 242, 312, 402
  • 5, 16, 35, 68, 91, 126, 206, 280, 370, 399
  • 6, 10, 15, 27, 59, 104, 144, 193, 301, 387
  • 8, 20, 40, 64, 104, 148, 201, 289, 347, 425
  • 8, 21, 37, 64, 112, 153, 203, 259, 344, 442
  • 9, 23, 36, 69, 109, 156, 203, 260, 349, 442
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