Information card for entry 4112455

Structure parameters

• Formula: C40 H54 N6 O12 Rh2 S2
• Calculated formula: C40 H54 N6 O12 Rh2 S2
• SMILES: C1(=[O][Rh]234([NH]5CCN(CC5)S(=O)(=O)c5c6c(c(N(C)C)ccc6)ccc5)[O]=C(O[Rh]4([NH]4CCN(CC4)S(=O)(=O)c4c5c(c(N(C)C)ccc5)ccc4)([O]=C(O2)C)([O]=C(O3)C)O1)C)C
• Title of publication: Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors
• Authors of publication: Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4972 - 4978
• a: 11.387 ± 0.002 Å
• b: 16.431 ± 0.003 Å
• c: 12.395 ± 0.002 Å
• α: 90°
• β: 101.224 ± 0.003°
• γ: 90°
• Cell volume: 2274.7 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1471
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No