Information card for entry 7249370

Structure parameters

• Formula: C28 H28 Cl2 N6 Ni O9
• Calculated formula: C28 H28 Cl2 N6 Ni O9
• Title of publication: Selective synthesis of cyclic alcohols from cycloalkanes using nickel(ii) complexes of tetradentate amidate ligands
• Authors of publication: Rajeev, Anjana; Muthuramalingam, Sethuraman; Sankaralingam, Muniyandi
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 41
• Pages of publication: 30440 - 30451
• a: 10.8951 ± 0.0006 Å
• b: 12.6583 ± 0.0007 Å
• c: 12.8328 ± 0.0007 Å
• α: 87.684 ± 0.002°
• β: 77.714 ± 0.002°
• γ: 72.944 ± 0.002°
• Cell volume: 1652.77 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.2171
• Weighted residual factors for all reflections included in the refinement: 0.2247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No