Information card for entry 4329637

Structure parameters

• Formula: C18 H36 Br4 N2 O6 Sn2
• Calculated formula: C18 H36 Br4 N2 O6 Sn2
• SMILES: [Sn](Br)(Br)[Br-].O1CCOCCN2CCOCCOCCN(CC1)CC[O]1CC[O]([Sn]1Br)CC2
• Title of publication: Cationic Cryptand Complexes of Tin(II)
• Authors of publication: Jessica C. Avery; Margaret A. Hanson; Rolfe H. Herber; Kamila J. Bladek; Paul A. Rupar; Israel Nowik; Yining Huang; Kim M. Baines
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7306 - 7316
• a: 8.4816 ± 0.0017 Å
• b: 11.541 ± 0.002 Å
• c: 14.656 ± 0.003 Å
• α: 90°
• β: 90.21 ± 0.03°
• γ: 90°
• Cell volume: 1434.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No