Information card for entry 1516934

Structure parameters

• Formula: C43 H62 B N5 Ni2 O8
• Calculated formula: C43 H62 B N5 Ni2 O8
• SMILES: [Ni]12345[O](C)CC[N]5(CC[O]1C)CC1[O]2[Ni]2([O]=C(O3)C)(OC(=[O]4)C)([O]=C(N)N)[N](C1)(C)CC[N]2(C)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: 11.254 ± 0.005 Å
• b: 15.027 ± 0.006 Å
• c: 27.273 ± 0.01 Å
• α: 90°
• β: 91.374 ± 0.005°
• γ: 90°
• Cell volume: 4611 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No