Information card for entry 4309019

Structure parameters

• Formula: C36 H86 F14 N8 O13 Si2
• Calculated formula: C36 H86 F14 N8 O13 Si2
• SMILES: N12CC[NH2+]Cc3ccc(cc3)C[NH2+]CCN(CC[NH2+]Cc3ccc(cc3)C[NH2+]CC1)CC[NH2+]Cc1ccc(C[NH2+]CC2)cc1.[Si](F)(F)(F)(F)([F-])[F-].[Si](F)(F)(F)(F)([F-])[F-].[F-].[F-].O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Tritopic (Cascade) and Ditopic Complexes of Halides with an Azacryptand
• Authors of publication: Md. Alamgir Hossain; Paula Morehouse; Douglas Powell; Kristin Bowman-James
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2143 - 2149
• a: 9.8304 ± 0.0011 Å
• b: 15.9973 ± 0.0019 Å
• c: 17.417 ± 0.002 Å
• α: 84.404 ± 0.003°
• β: 89.959 ± 0.003°
• γ: 77.098 ± 0.002°
• Cell volume: 2656.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No