Information card for entry 7016500

Structure parameters

• Formula: C11 H Fe3 K O11
• Calculated formula: C11 H Fe3 K O11
• SMILES: [Fe]123([H][Fe]1([Fe]2(C#[O])(C#[O])(C#[O])C#[O])(C3=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[K+]
• Title of publication: The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.
• Authors of publication: Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 34
• Pages of publication: 8685 - 8694
• a: 13.8959 ± 0.0007 Å
• b: 14.7885 ± 0.0008 Å
• c: 16.2868 ± 0.0009 Å
• α: 90°
• β: 98.238 ± 0.001°
• γ: 90°
• Cell volume: 3312.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No