Information card for entry 7224077

Structure parameters

• Formula: C28 H68 N6 Nd2 Ni2 O38
• Calculated formula: C28 H68 N6 Nd2 Ni2 O38
• SMILES: N1(=[O][Nd]23([O]=C4C[N]56[C@@H]7[C@H](CCCC7)[N]78CC(=O)O[Ni]68(OC(=O)C7)([O]24)[O]=C(C5)O[Nd]24([O]=C5C[N]67[C@H]8[C@@H](CCCC8)[N]89CC(=O)O[Ni]79(OC(=O)C8)([O]25)[O]=C(C6)O3)([OH2])([OH2])([OH2])([OH2])ON(=[O]4)=O)([OH2])([OH2])(O1)([OH2])[OH2])=O.O.O.O.O.O.O.O.O
• Title of publication: Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks
• Authors of publication: Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 4142
• a: 9.2011 ± 0.0018 Å
• b: 12.234 ± 0.002 Å
• c: 12.51 ± 0.003 Å
• α: 85.62 ± 0.03°
• β: 80.05 ± 0.03°
• γ: 68.91 ± 0.03°
• Cell volume: 1294 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No