Information card for entry 7060716

Structure parameters

• Formula: C36 H42 I2 N4 Zn
• Calculated formula: C36 H42 I2 N4 Zn
• Title of publication: Selective guest inclusion of linear C6 hydrocarbons in a Zn(ii) 1D coordination polymer
• Authors of publication: Caruso, Manfredi; Cametti, Massimo; Rissanen, Kari; Martí-Rujas, Javier
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 12448 - 12452
• a: 14.8749 ± 0.0002 Å
• b: 22.8089 ± 0.0002 Å
• c: 10.34 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3508.16 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2627
• Weighted residual factors for all reflections included in the refinement: 0.2666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.82656 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No