Information card for entry 7716036

Structure parameters

• Formula: C281 H373 Cl12 N27 O54 Si12 Zn6
• Calculated formula: C244 H318 Cl12 N26 O54 Si12 Zn6
• 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
• Year of publication: 2024
• a: 25.489 ± 0.005 Å
• b: 34.525 ± 0.007 Å
• c: 43.539 ± 0.009 Å
• α: 90°
• β: 95.58 ± 0.03°
• γ: 90°
• Cell volume: 38133 ± 13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.2589
• Residual factor for significantly intense reflections: 0.191
• Weighted residual factors for significantly intense reflections: 0.5241
• Weighted residual factors for all reflections included in the refinement: 0.5596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.824
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No