Information card for entry 8106060

Structure parameters

• Formula: C16 H20 N4 Ni
• Calculated formula: C16 H20 N4 Ni
• SMILES: [Ni]123n4cccc4C(=[N]1CCCC[N]2=C(C)c1n3ccc1)C
• Title of publication: Crystal structure of [N,N-bis((pyrrol-2-yl)ethylidene)butane-1,4-diamine-κ4 N,N′,N′′,N′′′]-nickel(II), C16H20N4Ni
• Authors of publication: Mao, Pan-Dong; Zhao, Xiao-Lei; Yang, Qing-Wen; Yang, Miao; Wang, Yuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 101 - 102
• a: 7.6578 ± 0.001 Å
• b: 17.184 ± 0.002 Å
• c: 11.6581 ± 0.0015 Å
• α: 90°
• β: 100.837 ± 0.002°
• γ: 90°
• Cell volume: 1506.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No