Information card for entry 7029562

Structure parameters

• Formula: C37 H57 Br3 Ca N2 Ni O3
• Calculated formula: C37 H57 Br3 Ca0.5 N2 Ni O3
• Title of publication: Recyclable chemosensor for oxalate based on bimetallic complexes of a dinucleating bis(iminopyridine) ligand.
• Authors of publication: Beattie, J. W.; White, D. S.; Bheemaraju, A.; Martin, P. D.; Groysman, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7979 - 7986
• a: 8.8371 ± 0.0005 Å
• b: 10.2867 ± 0.0005 Å
• c: 23.5169 ± 0.0012 Å
• α: 97.73 ± 0.003°
• β: 93.58 ± 0.003°
• γ: 110.826 ± 0.002°
• Cell volume: 1965.88 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No