Information card for entry 4511200

Structure parameters

• Formula: C44 H24 I4 N4 O V
• Calculated formula: C44 H24 I4 N4 O V
• Title of publication: Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2
• Authors of publication: Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3557
• a: 15.1179 ± 0.0004 Å
• b: 8.6311 ± 0.0002 Å
• c: 16.266 ± 0.0004 Å
• α: 90°
• β: 95.133 ± 0.001°
• γ: 90°
• Cell volume: 2113.94 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No