Information card for entry 1516929

Structure parameters

• Formula: C46 H73 B N6 Ni2 O8
• Calculated formula: C46 H73 B N6 Ni2 O8
• SMILES: [Ni]1234([O]=C(C)O[Ni]56([OH]CC)([O]1C(C[N]4(CC[N]2(C)C)C)C[N]5(CC[N]6(C)C)C)[O]=C(N)N)[O]=C(O3)C.c1cc(ccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.OCC
• 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: 17.591 ± 0.008 Å
• b: 17.449 ± 0.005 Å
• c: 17.256 ± 0.007 Å
• α: 90°
• β: 104.69 ± 0.04°
• γ: 90°
• Cell volume: 5124 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No