Information card for entry 7216431

Structure parameters

• Formula: C18 H10 Cd N5 O9.5
• Calculated formula: C18 H10 Cd N5 O9.52
• Title of publication: Two 3D metal‒organic frameworks of Cd(ii): modulation of structures and porous properties based on linker functionalities
• Authors of publication: Haldar, Ritesh; Bonakala, Satyanarayana; Kanoo, Prakash; Balasubramanian, Sundaram; Maji, Tapas Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 4877
• a: 6.7119 ± 0.0007 Å
• b: 24.876 ± 0.003 Å
• c: 14.0647 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2348.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 67
• Hermann-Mauguin space group symbol: C m m a
• Hall space group symbol: -C 2a 2
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.2257
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No