Information card for entry 4314224

Structure parameters

• Formula: C14 H23 Ca N O14
• Calculated formula: C14 H23 Ca N O14
• 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: 14.0519 ± 0.0007 Å
• b: 10.4258 ± 0.0005 Å
• c: 14.3319 ± 0.0007 Å
• α: 90°
• β: 103.961 ± 0.001°
• γ: 90°
• Cell volume: 2037.63 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No