Information card for entry 4086275

Structure parameters

• Formula: C17 H20 Fe0.5 Ni O2 P
• Calculated formula: C17 H20 Fe0.5 Ni O2 P
• Title of publication: Heterometallic Effects in Trinuclear Complexes Supported byp-Terphenyl Diphosphine Ligands
• Authors of publication: Horak, Kyle T.; Lin, Sibo; Rittle, Jonathan; Agapie, Theodor
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4429
• a: 11.5996 ± 0.0006 Å
• b: 13.1456 ± 0.0007 Å
• c: 10.9589 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1671.05 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No