Information card for entry 4072251

Structure parameters

• Formula: C82 H92 Fe2 N8 Ni4
• Calculated formula: C82 H83 Fe2 N8 Ni4
• 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: 10.9417 ± 0.0008 Å
• b: 11.8878 ± 0.0009 Å
• c: 14.2357 ± 0.0011 Å
• α: 79.239 ± 0.001°
• β: 83.872 ± 0.001°
• γ: 89.668 ± 0.002°
• Cell volume: 1808.5 ± 0.2 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: 0.0787
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No