Information card for entry 1516928

Structure parameters

• Formula: C41 H59 B N4 Ni2 O7
• Calculated formula: C41 H61 B N4 Ni2 O7
• SMILES: [Ni]1234([O]5[Ni]6([O]=C(O1)C)([OH2])([OH2])[N](CC5C[N]4(CC[N]3(C)C)C)(CC[N]6(C)C)C)[O]=C(O2)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and structures of urea-coordinated dinickel(II) complexes with binucleating ligand 1,3-bis(N-(2-(dimethylamino)ethyl)-N-methylamino)propan-2-ol (HL1) and its a nalogs
• Authors of publication: Katsura Mochizuki; Junpei Takahashi; Yukiko Ishima; Tomomi Shindo
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 151 - 158
• a: 15.7424 ± 0.0017 Å
• b: 12.1464 ± 0.0011 Å
• c: 23.968 ± 0.004 Å
• α: 90°
• β: 107.058 ± 0.005°
• γ: 90°
• Cell volume: 4381.4 ± 1 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No