Information card for entry 7716032

Structure parameters

• Formula: C295 H389 Cl12 Mn6 N27 O54 Si12
• Calculated formula: C244 H318 Cl4 Mn6 N26 O22 Si12
• 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: 25.37 ± 0.005 Å
• b: 34.527 ± 0.007 Å
• c: 43.51 ± 0.009 Å
• α: 90°
• β: 95.26 ± 0.03°
• γ: 90°
• Cell volume: 37952 ± 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: 0.3996
• Residual factor for significantly intense reflections: 0.204
• Weighted residual factors for significantly intense reflections: 0.5247
• Weighted residual factors for all reflections included in the refinement: 0.58
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No