Information card for entry 7716034

Structure parameters

• Formula: C108 H136 Cl4 Cu2 N8 O12 Si4
• Calculated formula: C108 H136 Cl4 Cu2 N8 O12 Si4
• 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: 16.9088 ± 0.0008 Å
• b: 36.9843 ± 0.0018 Å
• c: 17.1187 ± 0.0007 Å
• α: 90°
• β: 91.477 ± 0.002°
• γ: 90°
• Cell volume: 10701.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No