Information card for entry 7062397

Structure parameters

• Chemical name: Niipa
• Formula: C23 H18 N6 Ni O5.74
• Calculated formula: C23 H18 N6 Ni O5.74
• Title of publication: A post synthetically modified metal–organic framework as an efficient hydrogen evolution reaction catalyst in all pH conditions
• Authors of publication: Mondal, Tuhina; Hota, Poulami; Sarkar, Koushik; Debnath, Anup; Shaw, Bikash Kumar; Saha, Shyamal K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 8102 - 8110
• a: 8.828 ± 0.003 Å
• b: 16.662 ± 0.005 Å
• c: 17.222 ± 0.005 Å
• α: 90°
• β: 93.13 ± 0.02°
• γ: 90°
• Cell volume: 2529.4 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 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: 0.0988
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No