Information card for entry 7003085

Structure parameters

• Formula: C368 H344 Mn16 N32 O72 S16
• Calculated formula: C367.984 H252 Mn16 N32 O72 S16
• Title of publication: Steric control of the nuclearity of metallamacrocycles: formation of a hexanuclear gallium metalladiazamacrocycle and a hexadecanuclear manganese metalladiazamacrocycle
• Authors of publication: Lee, Kyungjin; John, Rohith P.; Park, Mira; Moon, Dohyun; Ri, Hyeong-Cheol; Kim, Ghyung Hwa; Lah, Myoung Soo
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 131
• a: 39.134 ± 0.006 Å
• b: 39.134 ± 0.006 Å
• c: 14.553 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22287 ± 7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1877
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No