Information card for entry 4515389

Structure parameters

• Formula: C11 H8 Cd N6 O4
• Calculated formula: C11 H8 Cd N6 O4
• Title of publication: Strategic Design and Functionalization of an Amine-Decorated Luminescent Metal Organic Framework for Selective Gas/Vapor Sorption and Nanomolar Sensing of 2,4,6-Trinitrophenol in Water.
• Authors of publication: Das, Prasenjit; Mandal, Sanjay K.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 25360 - 25371
• a: 15.2285 ± 0.0004 Å
• b: 40.8194 ± 0.0014 Å
• c: 13.2764 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8252.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No