Information card for entry 7100608

Structure parameters

• Formula: Ba3 Ge4 H60 Mn6 O30 Se17
• Calculated formula: Ba3 Ge4 H60 Mn6 O30 Se17
• SMILES: [Ba]([OH2])([OH2])([OH2])[OH2].O.O.O.O.[Se-][Ge]12[Se]3[Mn]456([OH2])[Se]2[Mn]278([OH2])[Se]1[Mn]193([OH2])[Se]3[Ge]%10([Se]%11[Mn]%12%133([OH2])[Se]3[Ge]([Se]4[Mn]4%143([OH2])[Se]3[Ge]([Se]2[Mn]%113([OH2])([Se]571%124)[Se]9%10)([Se-])[Se]8%14)([Se-])[Se]6%13)[Se-].[Ba]([OH2])([OH2])([OH2])[OH2].[Ba]([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O
• Title of publication: Ternary Mn/Ge/Se Anions from Reactions of [Ba2(H2O)9][GeSe4]: Synthesis and Characterization of Compounds Containing Discrete or Polymeric [Mn6Ge4Se17]6 Units
• Authors of publication: Stefanie Dehnen; Rodolphe Clerac; Maike Melullis
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 20.463 ± 0.003 Å
• b: 20.463 ± 0.003 Å
• c: 25.119 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9109 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No