Information card for entry 4332207

Structure parameters

• Common name: [Ni2(TPG)4]BF4, 2CH2Cl2
• Formula: C78 H68 B Cl4 F4 N12 Ni2
• Calculated formula: C78 H68 B Cl4 F4 N12 Ni2
• Title of publication: Metal−Metal Bonding in Mixed Valence Ni25+Complexes and Spectroscopic Evidence for a Ni26+Species
• Authors of publication: Berry, John F.; Bothe, Eberhard; Cotton, F. Albert; Ibragimov, Sergey A.; Murillo, Carlos A.; Villagrán, Dino; Wang, Xiaoping
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4396 - 4406
• a: 17.5916 ± 0.0014 Å
• b: 18.8152 ± 0.0015 Å
• c: 21.6622 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7170 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No