Information card for entry 8100513

Structure parameters

• Formula: C10 H9 Mo N3 O4
• Calculated formula: C10 H9 Mo N3 O4
• SMILES: [Mo](C#[O])(C#[O])(C#[O])(C#[O])([N]#CC)[N]#CC.N#CC
• Title of publication: Crystal structure of bisacetonitrile-tetracarbonyl-molybdenum—acetonitrile solvate, Mo(CO)~4~(NCCH~3~)~2~ · CH~3~CN
• Authors of publication: Biesemeier, Frank; Harms, Klaus; Müller, Ulrich
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 419 - 420
• a: 12.904 ± 0.002 Å
• b: 12.771 ± 0.002 Å
• c: 9.211 ± 0.001 Å
• α: 90°
• β: 116.16 ± 0.02°
• γ: 90°
• Cell volume: 1362.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No