Information card for entry 2003056

Structure parameters

• Formula: C14 H27 Co N10 O2
• Calculated formula: C14 H22 Co N10 O2
• SMILES: [Co](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[NH2+]1CC[NH2+]CC[NH2+]CCNCC1.O.O
• 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: 7.635 ± 0.002 Å
• b: 8.202 ± 0.005 Å
• c: 9.442 ± 0.003 Å
• α: 109.08 ± 0.01°
• β: 103.46 ± 0.01°
• γ: 107.03 ± 0.01°
• Cell volume: 497.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.0741
• Goodness-of-fit parameter for significantly intense reflections: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No