Information card for entry 7045727

Structure parameters

• Formula: C29 H24 N4
• Calculated formula: C29 H24 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: 12.8628 ± 0.0005 Å
• b: 30.2997 ± 0.001 Å
• c: 5.5303 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2155.37 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No