Information card for entry 7716035

Structure parameters

• Formula: C566 H728 Cl24 Cu12 N56 O96 Si24
• Calculated formula: C559 H720 Cl24 Cu12 N56 O96 Si24
• Title of publication: Coordinating nature of M₆L₁₂ double-stranded macrocycles: co-ligand competition of perchlorate, water, and acetonitrile depending on metal(II) ions.
• Authors of publication: An, Seonghyeon; Han, Jihun; Kim, Dongwon; Lee, Haeri; Jung, Ok-Sang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 9692 - 9699
• a: 35.019 ± 0.007 Å
• b: 45.42 ± 0.009 Å
• c: 46.291 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 73629 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No