Information card for entry 4330425

Structure parameters

• Formula: C96.67 H100.67 B0.67 Fe0.67 N2 O4.67 P2
• Calculated formula: C96.6693 H100.672 B0.666667 Fe0.666667 N2 O4.66733 P2
• 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: 19.5253 ± 0.0004 Å
• b: 21.1191 ± 0.0003 Å
• c: 30.1301 ± 0.0006 Å
• α: 90°
• β: 104.095 ± 0.001°
• γ: 90°
• Cell volume: 12050.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No