Information card for entry 1529390

Structure parameters

• Formula: C88 H80 Ce N16 Na4
• Calculated formula: C88 H80 Ce N16 Na4
• SMILES: [Ce]1234567[N]8([Na]9([N]6([Na]6([N]4(N56([Na]([N]3([N]2([Na]([N]18c1ccccc1)([n]1ccccc1)[n]1ccccc1)c1ccccc1)c1ccccc1)([n]1ccccc1)[n]1ccccc1)c1ccccc1)c1ccccc1)([n]1ccccc1)[n]1ccccc1)([N]79c1ccccc1)c1ccccc1)([n]1ccccc1)[n]1ccccc1)c1ccccc1
• Title of publication: Control of cerium oxidation state through metal complex secondary structures
• Authors of publication: Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 6925
• a: 13.9504 ± 0.0007 Å
• b: 16.2467 ± 0.0009 Å
• c: 19.0053 ± 0.0011 Å
• α: 83.136 ± 0.003°
• β: 83.696 ± 0.003°
• γ: 84.993 ± 0.003°
• Cell volume: 4238.8 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No