Information card for entry 4305340

Structure parameters

• Formula: C48 H54 Ca N4 O9 P2
• Calculated formula: C48 H54 Ca N4 O9 P2
• Title of publication: Cooperative Binding of Phosphate Anion and a Neutral Nitrogen Donor to Alkaline-Earth Metal Ions. Investigation of Group 2 Metal-Organophosphate Interaction in the Absence and Presence of 1,10-Phenanthroline
• Authors of publication: Ramaswamy Murugavel; Subramaniam Kuppuswamy; Sören Randoll
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6028 - 6039
• a: 13.5565 ± 0.0003 Å
• b: 16.4318 ± 0.0003 Å
• c: 21.6158 ± 0.0004 Å
• α: 90°
• β: 100.874 ± 0.002°
• γ: 90°
• Cell volume: 4728.63 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No