Information card for entry 4516844

Structure parameters

• Formula: C21 H20 I2 N2 Ni
• Calculated formula: C21 H20 I2 N2 Ni
• SMILES: c1cccc2CC[N]3(Cc4ccccc4c4ccccc4C3)[Ni](I)(I)[n]12
• Title of publication: Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.
• Authors of publication: Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.
• Journal of publication: ACS omega
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 2474 - 2481
• a: 10.6392 ± 0.0002 Å
• b: 13.9963 ± 0.0002 Å
• c: 14.0566 ± 0.0003 Å
• α: 90°
• β: 93.891 ± 0.001°
• γ: 90°
• Cell volume: 2088.34 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0515
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No