Information card for entry 7235695

Structure parameters

• Formula: C36 H42 Cd N6 O7
• Calculated formula: C36 H42 Cd N6 O7
• Title of publication: Structural and functional studies on coordination polymers based on 5-tert-butylisophthalic acid and N,N′-bis-(4-pyridylmethyl) piperazine
• Authors of publication: Xu, Bo; Sun, Yi-Qiang; Li, Jie; Li, Cun-Cheng
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 49
• Pages of publication: 25588
• a: 17.0669 ± 0.001 Å
• b: 10.2827 ± 0.0007 Å
• c: 21.854 ± 0.002 Å
• α: 90°
• β: 95.664 ± 0.005°
• γ: 90°
• Cell volume: 3816.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No