Information card for entry 4330423

Structure parameters

• Formula: C234 H178 B2 Cl1.94 Fe1.94 P6 Tl0.06
• Calculated formula: C234 H178 B2 Cl1.944 Fe1.944 P6 Tl0.056
• Title of publication: Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species
• Authors of publication: Caroline T. Saouma; Connie C. Lu; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10043 - 10054
• a: 13.5781 ± 0.001 Å
• b: 15.8816 ± 0.0011 Å
• c: 22.2863 ± 0.0016 Å
• α: 75.466 ± 0.002°
• β: 80.341 ± 0.002°
• γ: 77.215 ± 0.002°
• Cell volume: 4504.5 ± 0.6 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: 0.1538
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2151
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No