Information card for entry 7716145

Structure parameters

• Formula: C10 H22.6 N16 Ni2 O25.3
• Calculated formula: C10 H22.6 N16 Ni2 O25.3
• Title of publication: Elevating the energetic capabilities of metal coordination compound by incorporating nitrate anions
• Authors of publication: Yadav, Abhishek Kumar; Rajak, Richa; Dharavath, Srinivas
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.4655 ± 0.0008 Å
• b: 9.6141 ± 0.0009 Å
• c: 10.7999 ± 0.001 Å
• α: 91.342 ± 0.003°
• β: 104.194 ± 0.003°
• γ: 112.809 ± 0.002°
• Cell volume: 778.58 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No