Information card for entry 8101040

Structure parameters

• Formula: C22 H38 Mo O6
• Calculated formula: C22 H38 Mo O6
• SMILES: [Mo]12([O]=C(C=C(O1)C(C)(C)C)C(C)(C)C)(=O)(OC(=CC(=[O]2)C(C)(C)C)C(C)(C)C)=O
• Title of publication: Crystal structure of cis-dioxobis(2,2,6,6-tetramethyl-3,5-heptandionato)- molybdenum(VI), C~22~H~38~MoO~6~
• Authors of publication: Nass, Michael; Schürmann, Markus; Preut, Hans; Krause, Norbert
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 461 - 464
• a: 20.962 ± 0.001 Å
• b: 15.823 ± 0.001 Å
• c: 33.817 ± 0.001 Å
• α: 90°
• β: 92.347 ± 0.001°
• γ: 90°
• Cell volume: 11207.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No