Information card for entry 4113335

Structure parameters

• Formula: C90 H117 N9 O6 Rh3
• Calculated formula: C90 H117 N9 O6 Rh3
• SMILES: c12c3c(cc[n]1[Rh]14567(Oc8c(c(cc[n]8[Rh]89%10%11%12(Oc%13c(c(cc[n]%13[Rh]%13%14%15%16(O2)(O3)[c]2([c]%13([c]%14([c]%15([c]%162C)C)C)C)C)CN2CCN(CC2)C)O8)[c]2([c]9([c]%10([c]%11([c]%122C)C)C)C)C)CN2CCN(CC2)C)O1)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C)CN1CCN(CC1)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: pH-Triggered Assembly of Organometallic Receptors for Lithium Ions
• Authors of publication: Zacharias Grote; Rosario Scopelliti; Kay Severin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16959 - 16972
• a: 26.0844 ± 0.0007 Å
• b: 26.0844 ± 0.0007 Å
• c: 26.0844 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17747.7 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No