Information card for entry 7123204

Structure parameters

• Formula: C57 H41 N6 Ni1.5 O10.5
• Calculated formula: C57 H41 N6 Ni1.5 O10.5
• Title of publication: Long-Range Ferromagnetism in Nickel Based Hybrid Structure with Semiconductor Behavior
• Authors of publication: Mandal, Sukhendu; M, Prabu; Bandyopadhyay, Arkamita; Mukherjee, Prashanta; Nath, Ramesh Chandra; Pati, Swapan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.6003 ± 0.0002 Å
• b: 18.6486 ± 0.0005 Å
• c: 34.7689 ± 0.0009 Å
• α: 90°
• β: 96.711 ± 0.001°
• γ: 90°
• Cell volume: 5538.2 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No