Information card for entry 4072252

Structure parameters

• Formula: C49.5 H54 Fe N4 Ni2
• Calculated formula: C49.5 H46 Fe N4 Ni2
• Title of publication: A Toluene Guest in a Poly(heteronuclear) Complex Host of Ferrocenyl−(CH2)2-Bridged Bis(pyrazole)
• Authors of publication: Tan, Weiqiang; Yu, Zhengkun; He, Wei; Wang, Liandi; Sun, Jie; Chen, Jinzhu
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 4833
• a: 10.5506 ± 0.0009 Å
• b: 11.7665 ± 0.001 Å
• c: 18.0307 ± 0.0016 Å
• α: 72.868 ± 0.002°
• β: 81.398 ± 0.002°
• γ: 76.811 ± 0.002°
• Cell volume: 2074.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No