Information card for entry 1519435

Structure parameters

• Formula: C390 H330 Br Cl19 N60 O76 Zn10
• Calculated formula: C390 H330 Br1.004 Cl15 N60 O60 Zn10
• 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: 21.4814 ± 0.0019 Å
• b: 30.514 ± 0.002 Å
• c: 34.022 ± 0.003 Å
• α: 90°
• β: 97.399 ± 0.004°
• γ: 90°
• Cell volume: 22115 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1667
• Residual factor for significantly intense reflections: 0.1249
• Weighted residual factors for significantly intense reflections: 0.3228
• Weighted residual factors for all reflections included in the refinement: 0.3585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No