Information card for entry 4084674

Structure parameters

• Formula: C72 H68 B2 Br4 F8 Fe4 N4 Ni O0 P4
• Calculated formula: C72 H68 B2 Br4 F8 Fe4 N4 Ni P4
• Title of publication: Synthesis, Structural Characterization, and Catalytic H2Production of Ferrocenyl (Fc) Group Containing Complexes [Ni(PFc2NAr2)2](BF4)2(Ar = Ph,p-BrC6H4)
• Authors of publication: Song, Li-Cheng; Tan, Hao; Luo, Fei-Xian; Wang, Yong-Xiang; Ma, Zhen; Niu, Zheng
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5246
• a: 15.496 ± 0.008 Å
• b: 18.519 ± 0.009 Å
• c: 27.166 ± 0.014 Å
• α: 90°
• β: 101.075 ± 0.006°
• γ: 90°
• Cell volume: 7651 ± 7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2483
• Weighted residual factors for all reflections included in the refinement: 0.2683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No