Information card for entry 4001347

Structure parameters

• Formula: C116 H190 Ca3 O17
• Calculated formula: C112 H182 Ca3 O16
• SMILES: c1(c(cccc1C(C)C)C(C)C)O[Ca]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)Oc1c(cccc1C(C)C)C(C)C.c1(c(cccc1C(C)C)C(C)C)O[Ca]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)Oc1c(cccc1C(C)C)C(C)C.c1(c(cccc1C(C)C)C(C)C)O[Ca](Oc1c(cccc1C(C)C)C(C)C)([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: 40.75 ± 0.009 Å
• b: 16.333 ± 0.004 Å
• c: 19.166 ± 0.004 Å
• α: 90°
• β: 111.12 ± 0.004°
• γ: 90°
• Cell volume: 11899 ± 5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No