Information card for entry 7712164

Structure parameters

• Formula: C28 H44 Ca N2 O8 P2
• Calculated formula: C28 H44 Ca N2 O8 P2
• Title of publication: A rigid calcium 2-ethylhexylphosphate one-dimensional polymer: synthesis, structure, thermal behaviour and decomposition chemistry.
• Authors of publication: Matharoo, Navneet; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2412 - 2423
• a: 9.4587 ± 0.0015 Å
• b: 11.018 ± 0.0017 Å
• c: 30.677 ± 0.005 Å
• α: 90°
• β: 95.81 ± 0.005°
• γ: 90°
• Cell volume: 3180.6 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No