Information card for entry 7028697

Structure parameters

• Formula: C30 H59.43 N6 Ni2 O16.85
• Calculated formula: C30 H59.436 N6 Ni2 O16.859
• Title of publication: Colourimetric and fluorescent detection of oxalate in water by a new macrocycle-based dinuclear nickel complex: a remarkable red shift of the fluorescence band.
• Authors of publication: Rhaman, Md Mhahabubur; Fronczek, Frank R.; Powell, Douglas R.; Hossain, Md Alamgir
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4618 - 4621
• a: 8.9574 ± 0.001 Å
• b: 15.128 ± 0.002 Å
• c: 15.402 ± 0.002 Å
• α: 94.199 ± 0.009°
• β: 103.866 ± 0.009°
• γ: 106.95 ± 0.01°
• Cell volume: 1915.1 ± 0.4 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.0709
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No