Information card for entry 7016495

Structure parameters

• Formula: C13 H Fe4 K O13
• Calculated formula: C13 H Fe4 K O13
• SMILES: [Fe]12345([Fe]67([Fe]1([C]137[Fe]26(C#[O])(C#[O])(C#[O])[O]=1)(C#[O])(C#[O])(C#[O])C4=O)(C#[O])(C#[O])(C#[O])[H]5)(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: 9.416 ± 0.006 Å
• b: 13.905 ± 0.009 Å
• c: 14.604 ± 0.01 Å
• α: 90°
• β: 91.187 ± 0.009°
• γ: 90°
• Cell volume: 1912 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No