Information card for entry 7034800

Structure parameters

• Formula: C14 H46 Al2 F8 N4 O6
• Calculated formula: C14 H46 Al2 F8 N4 O6
• SMILES: C1CN(CC[N+]1(C)C)C.[F]1[Al](F)(F)(F)([F][Al]1(F)(F)(F)[OH2])[OH2].O.O.C1CN(CC[N+]1(C)C)C.O.O
• Title of publication: Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.
• Authors of publication: Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9569 - 9580
• a: 24.054 ± 0.01 Å
• b: 7.558 ± 0.003 Å
• c: 16.389 ± 0.007 Å
• α: 90°
• β: 123.374 ± 0.004°
• γ: 90°
• Cell volume: 2488.2 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0985
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No