Information card for entry 7028013

Structure parameters

• Formula: C12 H36 Cl2 Ni O20
• Calculated formula: C12 H36 Cl2 Ni O20
• 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: 10.0236 ± 0.001 Å
• b: 10.1937 ± 0.0007 Å
• c: 14.1856 ± 0.0014 Å
• α: 88.103 ± 0.002°
• β: 87.985 ± 0.002°
• γ: 60.886 ± 0.002°
• Cell volume: 1265.3 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No