Information card for entry 7028696

Structure parameters

• Formula: C26 H62 N10 Ni2 O22
• Calculated formula: C26 H62 N10 Ni2 O22
• SMILES: C1C[NH]2Cc3ccc(cc3)C[NH]3CC[N]4(CC[NH](Cc5ccc(cc5)C[NH]5[Ni]2([N]1(C)CC5)([OH2])([OH2])[OH2])[Ni]34([OH2])([OH2])[OH2])C.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• 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: 9.233 ± 0.003 Å
• b: 16.58 ± 0.005 Å
• c: 14.17 ± 0.004 Å
• α: 90°
• β: 91.545 ± 0.007°
• γ: 90°
• Cell volume: 2168.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No