Information card for entry 7045725

Structure parameters

• Formula: C37 H28 N4
• Calculated formula: C37 H28 N4
• Title of publication: Rhenium(I) based irregular pentagonal-shaped metallacavitands
• Authors of publication: bhol, Mamina; Shankar, Bhaskaran; Malaichamy, Sathiyendiran
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 18.3763 ± 0.001 Å
• b: 18.3763 ± 0.001 Å
• c: 4.4365 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1498.15 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No