Information card for entry 4305609

Structure parameters

• Formula: C156 H132 Co9 N66 O48
• Calculated formula: C156 H132 Co9 N66 O48
• SMILES: c1[n]2c(c3nc4c5[n](cccc5)[Co]5678n4c(=O)[n]3[Co]3492n2c(=O)[n]%10c(nc2c2cccc[n]32)c2cccc[n]2[Co]23%11%10n%10c(=O)[n]%12c(c%13cccc[n]%13[Co]%13%14%12(n%12c(=O)[n]%15c(c%16cccc[n]%16[Co]%16%17%18%15n%15c(=O)[n]%19c(nc%15c%15cccc[n]%16%15)c%15cccc[n]%15[Co]%15%16%19(n%19c(=O)[n]6c(nc%19c6cccc[n]%156)c6[n]5cccc6)n5c(=O)[n]6c(c%15cccc[n]%15[Co]%15%196(n6c(=O)[n]9c(c9cccc[n]49)nc6c4cccc[n]%154)[n]4ccccc4c4nc6c9cccc[n]9[Co]9%15(n%20c(=O)[n]%18c(nc%20c%18[n]9cccc%18)c9cccc[n]%179)([n]9ccccc9c9n%15c(=O)[n]3c(n9)c3cccc[n]%113)n6c(=O)[n]%194)nc5c3cccc[n]%163)nc%12c3cccc[n]%133)[n]3ccccc3c3nc(c4cccc[n]84)n7c(=O)[n]%143)nc%10c3cccc[n]23)ccc1.O=N(=O)[O-].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O=N(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O
• Title of publication: Assembly of a Cubic Nanocage Co8L12 and a Hydrogen-Bonded 3D NbO Net Based on the [(HCO3)2]2- Synthon and Water
• Authors of publication: Man-Li Cao; Hong-Guo Hao; Wei-Xiong Zhang; Bao-Hui Ye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8126 - 8133
• a: 17.9222 ± 0.0019 Å
• b: 17.986 ± 0.002 Å
• c: 18.0799 ± 0.0019 Å
• α: 62.854 ± 0.002°
• β: 60.6 ± 0.002°
• γ: 88.026 ± 0.002°
• Cell volume: 4381.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1397
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No