Information card for entry 1572206

Structure parameters

• Formula: C40 H96 Ca8 N8 O59
• Calculated formula: C40 H96 Ca8 N8 O59
• Title of publication: A novel pH-sensitive method for the quantification of Ca²⁺ ions by complexometric titration with Na₃HEDTA.
• Authors of publication: Bhochiya, Rahul; Mondal, Pradip Kumar; Balkrishna, Shah Jaimin
• Journal of publication: Analytical methods : advancing methods and applications
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 5628 - 5632
• a: 10.1835 ± 0.0007 Å
• b: 12.9146 ± 0.0009 Å
• c: 16.303 ± 0.0011 Å
• α: 81.259 ± 0.002°
• β: 87.322 ± 0.002°
• γ: 68.522 ± 0.002°
• Cell volume: 1971.9 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No