Information card for entry 4332206

Structure parameters

• Common name: Ni2(Triphenylguanidinate)4, 4(CDCl3)
• Formula: C80 H64 Cl12 D4 N12 Ni2
• Calculated formula: C80 H64 Cl12 D4 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: 17.715 ± 0.001 Å
• b: 11.8183 ± 0.0007 Å
• c: 18.6481 ± 0.001 Å
• α: 90°
• β: 90.039 ± 0.001°
• γ: 90°
• Cell volume: 3904.2 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No