Information card for entry 4515409

Structure parameters

• Formula: C49 H40 N4 Ni2 O14
• Calculated formula: C49 H40 N4 Ni2 O14
• Title of publication: Strategic Construction of Highly Stable Metal-Organic Frameworks Combining Both Semi-Rigid Tetrapodal and Rigid Ditopic Linkers: Selective and Ultrafast Sensing of 4-Nitroaniline in Water.
• Authors of publication: Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 49
• Pages of publication: 42406 - 42416
• a: 26.4359 ± 0.0018 Å
• b: 17.7874 ± 0.0011 Å
• c: 9.5097 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4471.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No