Information card for entry 7208053

Structure parameters

• Formula: C11 H12 Cd Cl N5 O
• Calculated formula: C11 H12 Cd Cl N5 O
• Title of publication: A novel dodecanuclear cadmium(ii) macrocycle with a 3D framework: synthesis, structure and properties
• Authors of publication: Chu, Wenjuan; Wu, Benlai; Tang, Mingsheng; Fan, Yaoting; Hou, Hongwei
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 4414
• a: 22.496 ± 0.003 Å
• b: 22.496 ± 0.003 Å
• c: 14.87 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6517.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No