Information card for entry 7026114

Structure parameters

• Formula: C13 H10 B F4 Fe N O2
• Calculated formula: C13 H10 B F4 Fe N O2
• 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: 9.6851 ± 0.0008 Å
• b: 18.7238 ± 0.0016 Å
• c: 7.7446 ± 0.0007 Å
• α: 90°
• β: 95.239 ± 0.004°
• γ: 90°
• Cell volume: 1398.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No