Information card for entry 1513096

Structure parameters

• Formula: C66 H54 N6 O18 Rh2
• Calculated formula: C66 H54 N6 O18 Rh2
• SMILES: [Rh]1234([Rh]([O]=C(O1)CCN1C(=O)c5c6c(C1=O)cccc6ccc5)([O]=C(O2)CCN1C(=O)c2c5c(C1=O)cccc5ccc2)(OC(=[O]3)CCN1C(=O)c2c3c(C1=O)cccc3ccc2)(OC(=[O]4)CCN1C(=O)c2c3c(C1=O)cccc3ccc2)[O]=CN(C)C)[O]=CN(C)C
• Title of publication: Rhodium paddlewheel dimers containing the π···π stacking, 1,8-naphthalimide supramolecular synthon
• Authors of publication: Daniel L. Reger; Agota Debreczeni; Mark D. Smith
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2011
• Journal volume: 378
• Journal issue: 1
• Pages of publication: 42 - 48
• a: 10.0902 ± 0.0007 Å
• b: 11.9848 ± 0.0009 Å
• c: 14.7501 ± 0.0011 Å
• α: 89.088 ± 0.001°
• β: 71.984 ± 0.001°
• γ: 88.251 ± 0.001°
• Cell volume: 1695.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.051
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No