Information card for entry 7026117

Structure parameters

• Formula: C15 H13 B F4 Fe N2 O2
• Calculated formula: C15 H13 B F4 Fe N2 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: 7.0213 ± 0.0005 Å
• b: 10.6698 ± 0.0008 Å
• c: 11.1259 ± 0.0008 Å
• α: 78.54 ± 0.003°
• β: 83.572 ± 0.003°
• γ: 81.108 ± 0.003°
• Cell volume: 804.23 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No