Information card for entry 4101358

Structure parameters

• Formula: C147 H229 N15 O17 Rh6
• Calculated formula: C147 H174 N15 O17 Rh6
• SMILES: c12c3c4cc[n]1[Rh]15678(Oc9c(c%10cc[n]9[Rh]9%11%12%13%14(Oc%15c(c(cc[n]%15[Rh]%15%16%17%18(O2)(O3)[cH]2[c]%15([c]%16([c]%17([c]%182C)C)C)C)CN2CCC(CC2)CCCC2CCN(CC2)Cc2c3O[Rh]%15%16%17%18%19([n]%20c%21O[Rh]%22%23%24%25([n]%26c%27O[Rh]%28%29%30%31([n](c3O%15)cc2)(Oc%27c(CN2CCC(CCCC3CCN(C4)CC3)CC2)cc%26)[cH]2[c]%31([c]%30([c]%29([c]%282C)C)C)C)(Oc%21c(CN2CCC(CCCC3CCN(C%10)CC3)CC2)cc%20)[cH]2[c]%25([c]%24([c]%23([c]%222C)C)C)C)[cH]2[c]%19([c]%18([c]%17([c]%162C)C)C)C)O9)[cH]2[c]%11([c]%12([c]%13([c]%142C)C)C)C)O1)[cH]1[c]5([c]6([c]7([c]81C)C)C)C.N(CC)(CC)CC.O.O.O.N(CC)(CC)CC.N(CC)(CC)CC.O.O
• Title of publication: Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.
• Authors of publication: Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 32
• Pages of publication: 10382 - 10383
• a: 25.758 ± 0.002 Å
• b: 25.758 ± 0.002 Å
• c: 25.758 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17091 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.1697
• Residual factor for significantly intense reflections: 0.1346
• Weighted residual factors for significantly intense reflections: 0.3297
• Weighted residual factors for all reflections included in the refinement: 0.3625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No