Information card for entry 7026116

Structure parameters

• Formula: C29 H22 B F4 Fe O5 P
• Calculated formula: C29 H22 B F4 Fe O5 P
• SMILES: [Fe]1234([P](Oc5ccccc5)(Oc5ccccc5)Oc5ccccc5)(C#[O])(C#[O])[c]56cccc[c]46[cH]3[cH]2[cH]15.[B](F)(F)(F)[F-]
• Title of publication: Iron indenyl carbonyl compounds: CO-releasing molecules.
• Authors of publication: Hewison, Lindsay; Crook, Sian H.; Johnson, Tony R.; Mann, Brian E.; Adams, Harry; Plant, Sarah E.; Sawle, Philip; Motterlini, Roberto
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 8967 - 8975
• a: 13.092 ± 0.012 Å
• b: 20.322 ± 0.012 Å
• c: 21.77 ± 0.02 Å
• α: 90°
• β: 107.458 ± 0.017°
• γ: 90°
• Cell volume: 5525 ± 8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No