Information card for entry 7028017

Structure parameters

• Formula: C48 H122 Br8 Ni4 O50
• Calculated formula: C48 H122 Br8 Ni4 O50
• Title of publication: Hydrogen bonded polymers and oligomers from metal salts and 18-crown-6
• Authors of publication: Steed, Jonathan W.; McCool, Brian J.; Junk, Peter C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 20
• Pages of publication: 3417
• a: 9.6227 ± 0.0004 Å
• b: 9.7835 ± 0.0005 Å
• c: 25.5561 ± 0.0013 Å
• α: 93.058 ± 0.002°
• β: 96.469 ± 0.002°
• γ: 100.73 ± 0.002°
• Cell volume: 2342 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No