Information card for entry 7004699

Structure parameters

• Formula: C230 H294 Mn12 N24 O82
• Calculated formula: C204 H168 Mn12 N24 O66
• Title of publication: A dodecanuclear metallamacrocycle having a multidentate bridging ligand in two different binding modes
• Authors of publication: Liu, Xinfang; Liu, Wenlong; Lee, Kyungjin; Park, Mira; Ri, Hyeong-Cheol; Kim, Ghyung Hwa; Lah, Myoung Soo
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6579 - 6583
• a: 29.04 ± 0.004 Å
• b: 29.04 ± 0.004 Å
• c: 26.733 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19524 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.7 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No