Information card for entry 7244579

Structure parameters

• Formula: C13 H15 Cl Co N6
• Calculated formula: C13 H15 Cl Co N6
• Title of publication: Reversible ammonia uptake at room temperature in a robust and tunable metal–organic framework
• Authors of publication: Lee, Jaechul; Seo, Younggyu; Kang, Dong Won; Park, Seungjae; Kim, Hyunyong; Kim, Jaheon; Kim, Kimoon; Hong, Chang Seop; Lim, Dae-Woon; Lee, Eunsung
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 7605 - 7611
• a: 23.354 ± 0.003 Å
• b: 23.354 ± 0.003 Å
• c: 13.117 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7154 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No