Information card for entry 4314223

Structure parameters

• Formula: C24 H30 Ca2 N2 O20
• Calculated formula: C24 H27.158 Ca2 N2 O19.421
• Title of publication: Synthesis and Spectroscopic and Structural Characterization of Two Novel Photoactivatable Ca2+ Compounds
• Authors of publication: Alessia Bacchi; Mauro Carcelli; Corrado Pelizzi; Giancarlo Pelizzi; Paolo Pelagatti; Dominga Rogolino; Matteo Tegoni; Cristiano Viappiani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5871 - 5879
• a: 8.3513 ± 0.0009 Å
• b: 11.993 ± 0.001 Å
• c: 16.433 ± 0.002 Å
• α: 91.168 ± 0.002°
• β: 94.07 ± 0.002°
• γ: 105.891 ± 0.002°
• Cell volume: 1577.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No