Information card for entry 7226630

Structure parameters

• Formula: C76 H67 Ca2 Cd4 N5 O35
• Calculated formula: C76 H67 Ca2 Cd4 N5 O35
• Title of publication: Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection
• Authors of publication: Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 42
• Pages of publication: 8301
• a: 19.999 ± 0.0011 Å
• b: 18.6284 ± 0.0011 Å
• c: 35.123 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13085.1 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No