Information card for entry 2104552

Structure parameters

• Chemical name: (mu(2)-3,6,9-trioxaundecane-1,11-dithiolato-S,S,S',S')-hexacarbonyl-di-iron
• Formula: C14 H16 Fe2 O9 S2
• Calculated formula: C14 H16 Fe2 O9 S2
• SMILES: [Fe]12([Fe]3([S]1CCOCCOCCOCC[S]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 11.3991 ± 0.001 Å
• b: 14.296 ± 0.0016 Å
• c: 14.8001 ± 0.0011 Å
• α: 68.146 ± 0.001°
• β: 68.994 ± 0.001°
• γ: 88.697 ± 0.002°
• Cell volume: 2072.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No