Information card for entry 7027966

Structure parameters

• Formula: C27.5 H26.5 Fe N3.75 O3.13
• Calculated formula: C27.5 H25.5 Fe N3.75 O3.125
• Title of publication: Response to steric constraint in azacryptate and related complexes of iron-(II) and -(III) *
• Authors of publication: Deeney, F. Anthony; Harding, Charles J.; Morgan, Grace G.; McKee, Vickie; Nelson, Jane; Teat, Simon J.; Clegg, William
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 11
• Pages of publication: 1837
• a: 11.01 ± 0.002 Å
• b: 14.127 ± 0.002 Å
• c: 16.284 ± 0.002 Å
• α: 93.69°
• β: 102.92°
• γ: 98.12°
• Cell volume: 2431.8 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No