Information card for entry 7034237

Structure parameters

• Formula: C32 H44 B2 N12 Ni2 O4
• Calculated formula: C32 H44 B2 N12 Ni2 O4
• SMILES: c1([n]2n(c(c1)C)[BH]1n3c(cc([n]3[Ni]32([O]=C2C(=[O][Ni]45([n]6c(cc(n6[BH](n6c(cc([n]46)C)C)n4[n]5c(cc4C)C)C)C)O2)O3)[n]2n1c(C)cc2C)C)C)C
• 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: 17.1572 ± 0.0002 Å
• b: 13.65435 ± 0.00014 Å
• c: 7.88214 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1846.55 ± 0.03 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n m n
• Hall space group symbol: -P 2n 2n
• Residual factor R(I) for significantly intense reflections: 4.8263
• Goodness-of-fit parameter for all reflections: 2.5898
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.82449 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No