Information card for entry 4305415

Structure parameters

• Formula: C114 H156 K2 N6 O36 Rh6
• Calculated formula: C114 H150 K2 N6 O36 Rh6
• SMILES: c1c2cc3c[n]1[Rh]14567(OC8=[O][K]9([OH]C)([OH]C)([OH]C)[O]=C2O[Rh]2%10%11%12%13([n]%14cc%15cc(c%14)C(=O)O[Rh]%14%16%17%18%19([n]%20cc%21cc(c%20)C(=O)O[Rh]%20%22%23%24([n]%25cc8cc(c%25)C(=O)O[Rh]8%25%26%27%28([n]%29cc(cc(c%29)C(O7)=O)C7=[O][K]([OH]C)([OH]C)([OH]C)([O]=C%21O8)[O]=C(O%14)c8c[n](cc(c8)C(=O)O%13)[Rh]8%13%14%21(OC3=O)(O7)[c]3([c]%21([c]%14([c]%13([c]83C)C)C)C)C)[c]3([c]%25([c]%26([c]%27([c]%283C)C)C)C)C)(OC%15=[O]9)[c]3([c]%24([c]%23([c]%22([c]%203C)C)C)C)C)[c]3([c]%16([c]%17([c]%18([c]%193C)C)C)C)C)[c]3([c]2([c]%10([c]%11([c]%123C)C)C)C)C)[c]2([c]1([c]4([c]5([c]62C)C)C)C)C.CO.CO.CO.CO.CO.CO
• Title of publication: Coordination Cages of Rhodium and Iridium as Exoreceptors for Alkali Metal Ions
• Authors of publication: Sebastian Mirtschin; Elvira Krasniqi; Rosario Scopelliti; Kay Severin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6375 - 6381
• a: 15.233 ± 0.002 Å
• b: 15.258 ± 0.003 Å
• c: 18.261 ± 0.006 Å
• α: 72.04 ± 0.02°
• β: 66.871 ± 0.015°
• γ: 76.063 ± 0.012°
• Cell volume: 3678 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1869
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.2524
• Weighted residual factors for all reflections included in the refinement: 0.2913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No