Information card for entry 4001344

Structure parameters

• Formula: C72 H102 Ca4 O14
• Calculated formula: C72 H102 Ca4 O14
• SMILES: [Ca]12([O]3[Ca]4([O]5[Ca]([O]4c4c(cccc4C)C)(Oc4c(cccc4C)C)([O]4CCCC4)[O]([Ca]35([O]1c1c(cccc1C)C)([O]1CCCC1)[O]1CCCC1)c1c(cccc1C)C)([O]2c1c(cccc1C)C)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)Oc1c(cccc1C)C
• 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: 15.808 ± 0.002 Å
• b: 20.981 ± 0.003 Å
• c: 22.635 ± 0.004 Å
• α: 90°
• β: 103.635 ± 0.003°
• γ: 90°
• Cell volume: 7295.7 ± 1.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• 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: 0.211
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No