Information card for entry 4339745

Structure parameters

• Formula: C92 H79 Fe6 N13 O27
• Calculated formula: C92 H77 Fe6 N13 O27
• Title of publication: A new N,N,O chelate for transition metal chemistry: Fe5 and Fe6 clusters from the use of 6-hydroxymethyl-2,2'-bipyridine (hmbpH).
• Authors of publication: Bagai, Rashmi; Abboud, Khalil A.; Christou, George
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5567 - 5575
• a: 13.8233 ± 0.0006 Å
• b: 14.0671 ± 0.0006 Å
• c: 14.2856 ± 0.0006 Å
• α: 65.175 ± 0.002°
• β: 70.147 ± 0.002°
• γ: 89.561 ± 0.002°
• Cell volume: 2341.55 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No