Information card for entry 4516846

Structure parameters

• Formula: C41 H38 Br Cl3 N4 Ni O4
• Calculated formula: C41 H38 Br Cl3.002 N4 Ni O4
• 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: 14.9042 ± 0.0009 Å
• b: 14.4103 ± 0.0009 Å
• c: 19.0672 ± 0.0009 Å
• α: 90°
• β: 101.68 ± 0.002°
• γ: 90°
• Cell volume: 4010.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No