Information card for entry 7240783

Structure parameters

• Formula: C42 H48 N4 Ni O2
• Calculated formula: C42 H48 N4 Ni O2
• Title of publication: Ancillary ligand electro-activity effects towards phenyl acetylene homocoupling reaction by a nickel(ii) complex of a non-innocent O-amino phenol ligand: a mechanistic insight
• Authors of publication: Nasibipour, Mina; Safaei, Elham; Masoumpour, Marziyeh Sadat; Wojtczak, Andrzej
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 41
• Pages of publication: 24176 - 24189
• a: 16.469 ± 0.002 Å
• b: 8.1558 ± 0.0008 Å
• c: 16.897 ± 0.002 Å
• α: 90°
• β: 118.733 ± 0.017°
• γ: 90°
• Cell volume: 1990.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0742
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No