Information card for entry 1541518

Structure parameters

• Chemical name: (Na (C H3 O H)5)2 (Br8 (Mo (C H3 O))6)
• Formula: C16 H58 Br8 Mo6 Na2 O16
• Calculated formula: C16 H58 Br8 Mo6 Na2 O16
• SMILES: CO[Mo]1234567[Mo]89%10%11%12%13([Mo]%14%15%16%173([Mo]3%18%19%201([Br]2%14)([Mo]1248([Mo]9%153([Br]%181)([Br]%112)([Br]%12%16)([Br]%17%20)OC)([Br]6%19)([Br]7%13)OC)OC)([Br]5%10)OC)OC.C[OH][Na]([OH]C)([OH]C)([OH]C)[OH]C.[Na]([OH]C)([OH]C)([OH]C)([OH]C)[OH]C
• Title of publication: Molybdenum and tungsten methoxo clusters with differently bonded methoxo groups. Crystal structure of (Na (C H3 O H)5)2 (Mo6 (mue3-Br)8 (O C H3)6)
• Authors of publication: Brnicevic, N.; Basic, I.; McCarley, R.E.; Hoxha, B.; Planinic, P.
• Journal of publication: Polyhedron
• Year of publication: 2003
• Journal volume: 22
• Pages of publication: 1553 - 1559
• a: 10.811 Å
• b: 12.27 Å
• c: 10.776 Å
• α: 97.31°
• β: 119.36°
• γ: 95.42°
• Cell volume: 1215.21 ų
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No