Information card for entry 4339746

Structure parameters

• Formula: C53 H58 Cl2 Fe5 N11 O24
• Calculated formula: C43 H43 Cl2 Fe5 N6 O24
• 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: 21.6352 ± 0.0002 Å
• b: 13.4154 ± 0.0006 Å
• c: 23.1971 ± 0.0011 Å
• α: 90°
• β: 102.456 ± 0.002°
• γ: 90°
• Cell volume: 6574.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0923
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No