Information card for entry 2013116

Structure parameters

• Formula: C33 H69 Cl8 N11 O37
• Calculated formula: C33 H69 Cl8 N11 O37
• SMILES: N12CC[NH2+]Cc3cccc([nH+]3)C[NH2+]CCN(CC[NH2+]Cc3cccc(C[NH2+]CC1)n3)CC[NH2+]Cc1cccc(C[NH2+]CC2)[nH+]1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O.O
• Title of publication: A perchlorate salt of an octaprotonated cryptand
• Authors of publication: McKee, Vickie; Morgan, Grace G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o150 - o152
• a: 12.9265 ± 0.0013 Å
• b: 13.6798 ± 0.0014 Å
• c: 18.531 ± 0.0019 Å
• α: 84.258 ± 0.009°
• β: 76.394 ± 0.008°
• γ: 65.092 ± 0.008°
• Cell volume: 2888.7 ± 0.6 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes