Information card for entry 7005447

Structure parameters

• Formula: C78 H77 N24 Nd2 O15.5 Ru3
• Calculated formula: C78 H62 N24 Nd2 O15.5 Ru3
• Title of publication: Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, near-infrared luminescent lanthanide(iii) cations, and ancillary oligopyridine ligands: structures and photophysical properties
• Authors of publication: Baca, Svetlana G.; Adams, Harry; Sykes, Daniel; Faulkner, Stephen; Ward, Michael D.
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2419
• a: 10.8466 ± 0.0006 Å
• b: 27.2848 ± 0.0015 Å
• c: 31.3415 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9275.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No