Information card for entry 4332204

Structure parameters

• Common name: Ni2(DAniF)4,1.5CH2Cl2
• Formula: C61.5 H63 Cl3 N8 Ni2 O8
• Calculated formula: C61.5 H63 Cl3 N8 Ni2 O8
• 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: 15.1025 ± 0.0004 Å
• b: 17.3051 ± 0.0008 Å
• c: 23.801 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6220.4 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No