Information card for entry 7102994

Structure parameters

• Formula: C252 H264 Mn32 P4 Se50
• Calculated formula: C252 H264 Mn32 P4 Se50
• SMILES: c1(ccccc1)[Se]1[Mn]23[Se]45[Mn]67[Se]89[Mn]%10%11[Se]%12%13[Mn]%14%15[Se]%16%17[Mn]%184[Se]4%19[Mn]%20%21[Se](c%22ccccc%22)[Mn]%225[Se]5[Mn]%239[Se](c9ccccc9)[Mn]9([Se]%247[Mn]71[Se](c1ccccc1)[Mn]([P](CCC)(CCC)CCC)([Se]9c1ccccc1)[Se](c1ccccc1)[Mn]1%24[Se](c9ccccc9)[Mn]9%24[Se]6%14[Mn]6([Se]2[Mn]2%16[Se](c%14ccccc%14)[Mn]4([Se](c4ccccc4)[Mn]([P](CCC)(CCC)CCC)([Se]%20c4ccccc4)[Se](c4ccccc4)[Mn]4%19[Se](c%14ccccc%14)[Mn]%14%16[Se]%19[Mn]%20%12[Se](c%12ccccc%12)[Mn]%12([Se]%25%10[Mn]%10([Se](c%26ccccc%26)[Mn]8([Se]9[Mn]%13([Se](c8ccccc8)[Mn]8([Se]9%15[Mn]([Se](c%13ccccc%13)[Mn]%17%19[Se]4c4ccccc4)([Se](c4ccccc4)[Mn]([P](CCC)(CCC)CCC)([Se]8c4ccccc4)[Se](c4ccccc4)[Mn]9([Se]6c4ccccc4)[Se]2c2ccccc2)[Se]%20c2ccccc2)[Se]%24c2ccccc2)[Se]%10c2ccccc2)[Se]1c1ccccc1)[Se](c1ccccc1)[Mn]([P](CCC)(CCC)CCC)([Se]%12c1ccccc1)[Se](c1ccccc1)[Mn]%25([Se](c1ccccc1)[Mn]5([Se]%21c1ccccc1)[Se]%11%18%16)[Se]%23c1ccccc1)[Se]%14c1ccccc1)[Se]3c1ccccc1)[Se]7c1ccccc1)[Se]%22c1ccccc1
• Title of publication: Synthesis, structure and physical properties of the manganese(ii) selenide/selenolate cluster complexes [Mn(32)Se(14)(SePh)(36)(PnPr(3))(4)] and [Na(benzene-15-crown-5)(C(4)H(8)O)(2)](2)[Mn(8)Se(SePh)(16)].
• Authors of publication: Eichhöfer, Andreas; Wood, Paul T; Viswanath, Raghavan N; Mole, Richard A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1596 - 1598
• a: 22.272 ± 0.003 Å
• b: 22.272 ± 0.003 Å
• c: 22.272 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11049 ± 2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 195
• Hermann-Mauguin space group symbol: P 2 3
• Hall space group symbol: P 2 2 3
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.8 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No