Information card for entry 4339618

Structure parameters

• Formula: C24 H40 N8 O15 Re2
• Calculated formula: C24 H40 N8 O15 Re2
• SMILES: [Re](=O)(=O)(=O)[O-].[Re](=O)(=O)(=O)[O-].O=C1NCC[NH+](CCNC(=O)c2nc(C(=O)NCC[NH+](CCNC(=O)c3nc1ccc3)C)ccc2)C.O.O.O
• Title of publication: Versatile host for metallo anions and cations.
• Authors of publication: Ghosh, Sanjib; Roehm, Brian; Begum, Rowshan Ara; Kut, Jerry; Hossain, Md Alamgir; Day, Victor W.; Bowman-James, Kristin
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9519 - 9521
• a: 12.017 ± 0.0013 Å
• b: 13.5117 ± 0.0014 Å
• c: 21.94 ± 0.002 Å
• α: 90.252 ± 0.002°
• β: 90.942 ± 0.002°
• γ: 111.305 ± 0.002°
• Cell volume: 3318.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No