Information card for entry 2003054

Structure parameters

• Formula: C18 H40 Co K N12 O4
• Calculated formula: C18 H40 Co K N12 O4
• Title of publication: Crystal structures of [18]aneN~6~H~2~K[Co(CN)~6~].4H~2~O, [16]aneN~4~H~2~K[Co(CN)~6~] and [12]aneN~4~H~3~[Co(CN)~6~].2H~2~O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes
• Authors of publication: Steve C.F. Au-Yeung
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 389 - 395
• a: 10.125 ± 0.003 Å
• b: 11.133 ± 0.002 Å
• c: 15.014 ± 0.002 Å
• α: 73.78 ± 0.01°
• β: 71.68 ± 0.01°
• γ: 68.87 ± 0.02°
• Cell volume: 1472 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0964
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.0667
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No