Information card for entry 4001351

Structure parameters

• Formula: C52 H62 Ca O6 Si2
• Calculated formula: C52 H62 Ca O6 Si2
• SMILES: c1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)O[Ca](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics
• Authors of publication: Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 2016
• a: 12.2051 ± 0.0015 Å
• b: 12.8757 ± 0.0016 Å
• c: 15.8624 ± 0.0019 Å
• α: 93.792 ± 0.002°
• β: 90.235 ± 0.002°
• γ: 103.998 ± 0.002°
• Cell volume: 2412.9 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.1048
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No