Information card for entry 1519433

Structure parameters

• Formula: C156 H132 B6 Br4 Co5 F24 N24
• Calculated formula: C156 H132 Br4 Co5 N24
• SMILES: Br[Co](Br)([Br-])[Br-].[Co]12345[n]6cc(ccc6C=[N]1c1ccc(cc1)C)c1c[n]6[Co]789([n]%10cc(c%11c[n]%12[Co]%13%14([n]%15cc(c%16c[n]%17[Co]%18%19([n]%20cc(c%21c[n]2c(cc%21)C=[N]4c2ccc(cc2)C)ccc%20C=[N]%18c2ccc(cc2)C)([n]2cc(c4c[n]7c(cc4)C=[N]9c4ccc(cc4)C)ccc2C=[N]%19c2ccc(cc2)C)[N](=Cc%17cc%16)c2ccc(cc2)C)ccc%15C=[N]%13c2ccc(cc2)C)([n]2cc(c4c[n]3c(cc4)C=[N]5c3ccc(cc3)C)ccc2C=[N]%14c2ccc(cc2)C)[N](=Cc%12cc%11)c2ccc(cc2)C)ccc%10C=[N]8c2ccc(cc2)C)[N](=Cc6cc1)c1ccc(cc1)C
• Title of publication: Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests
• Authors of publication: Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 3533
• a: 34.5284 ± 0.0004 Å
• b: 34.5284 ± 0.0004 Å
• c: 34.5284 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 41165.1 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 210
• Hermann-Mauguin space group symbol: F 41 3 2
• Hall space group symbol: F 4d 2 3
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No