Information card for entry 4506098

Structure parameters

• Formula: C120 H86 N12 Ni4 O14 Tb2
• Calculated formula: C120 H85.98 N12 Ni4 O13.98 Tb2
• Title of publication: The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ
• Authors of publication: Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2158
• a: 13.3357 ± 0.0002 Å
• b: 13.3357 ± 0.0002 Å
• c: 18.5394 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2855.34 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No