Information card for entry 7110641

Structure parameters

• Formula: C44 H88 Cl2 Cu4 Fe2 N2 Se8
• Calculated formula: C44 H88 Cl2 Cu4 Fe2 N2 Se8
• SMILES: Cl[Fe]123[Cu]4567([Cu]89%10([Cu]%11%12%134([Cu]58([Se]16C(C)C)([Se]([Fe]%11(Cl)([Se]7%12C(C)C)[Se]%13C(C)C)C(C)C)[Se]9C(C)C)[Se]%10C(C)C)[Se]3C(C)C)[Se]2C(C)C.[N+](C)(C)(C)Cc1ccccc1.[N+](C)(C)(C)Cc1ccccc1
• Title of publication: [NBnMe3]2[Fe2Cu4(SePri)8Cl2] and [NBnMe3]2[Fe3Cu(SePri)6Cl3], novel heterometallic chalcogenolate complexes with dodecahedral and octahedral selenium cages
• Authors of publication: Lackmann, Jörg; Hauptmann, Ralf; Weißgräber, Stefan; Henkel, Gerald
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 1995
• a: 14.832 ± 0.002 Å
• b: 16.45 ± 0.003 Å
• c: 26.524 ± 0.004 Å
• α: 90°
• β: 105.29 ± 0.01°
• γ: 90°
• Cell volume: 6242.4 ± 1.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections: 0.1879
• Goodness-of-fit parameter for all reflections: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No