Information card for entry 7026319

Structure parameters

• Formula: C36 H43.25 Cl4 N6 Ni2 O3.75
• Calculated formula: C36 H42 Cl4 N6 Ni2 O3.75
• Title of publication: Dimetallic complexes of macrocycles with two rigid dibenzofuran units as receptors for detection of anionic substrates.
• Authors of publication: Li, Feng; Carvalho, Sílvia; Delgado, Rita; Drew, Michael G. B.; Félix, Vítor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9579 - 9587
• a: 15.285 ± 0.021 Å
• b: 14.773 ± 0.02 Å
• c: 20.613 ± 0.024 Å
• α: 90°
• β: 102.94 ± 0.001°
• γ: 90°
• Cell volume: 4536 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.188
• Residual factor for significantly intense reflections: 0.138
• Weighted residual factors for significantly intense reflections: 0.3103
• Weighted residual factors for all reflections included in the refinement: 0.3331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No