Information card for entry 7034240

Structure parameters

• Formula: C45 H54 B2 Cl4 N14 Ni2 O2
• Calculated formula: C45 H54 B2 Cl4 N14 Ni2 O2
• Title of publication: Blocking and bridging ligands direct the structure and magnetic properties of dimers of pentacoordinate nickel(ii).
• Authors of publication: López-Banet, Luisa; Santana, M. Dolores; García, Gabriel; Pérez, José; García, Luís; Lezama, Luis; da Silva, Iván
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6839 - 6847
• a: 17.9483 ± 0.0017 Å
• b: 19.1658 ± 0.0018 Å
• c: 15.6504 ± 0.0015 Å
• α: 90°
• β: 103.78 ± 0.002°
• γ: 90°
• Cell volume: 5228.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2206
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No