Information card for entry 8107446

Structure parameters

• Formula: C82 H48 Cd2 N4 O8
• Calculated formula: C82 H48 Cd2 N4 O8
• Title of publication: Crystal structure of bis(μ2-1-pyrenecarboxylato-κ3 O,O′:O′)-bis(1-pyrenecarboxylato-κ2 O,O′)-(benzimidazole-κ1 N)dicadmium(II), C82H48Cd2N4O8
• Authors of publication: Gao, Peng-Fu; Li, Ting; Fu, Hong-Ru
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 377 - 379
• a: 7.6031 ± 0.0003 Å
• b: 10.6963 ± 0.0003 Å
• c: 19.0717 ± 0.0007 Å
• α: 98.967 ± 0.003°
• β: 99.207 ± 0.003°
• γ: 95.921 ± 0.003°
• Cell volume: 1499.21 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No