Information card for entry 4301445

Structure parameters

• Formula: C28 H22 B F4 N5 O4 Ru
• Calculated formula: C28 H22 B F4 N5 O4 Ru
• SMILES: [Ru]123(OC(=O)c4[n]3c3c(cc4)cccc3)([n]3c4ccccc4ccc3C(=O)N1c1cc(c(cc1[NH2]2)C)C)N=O.[B](F)(F)(F)[F-]
• Title of publication: Accelerated Photorelease of NO from {Ru-NO}6 Nitrosyls Containing Carboxamido-N and Carboxylato-O Donors: Syntheses, Structures, and Photochemistry
• Authors of publication: Genevieve M. Halpenny; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1490 - 1497
• a: 7.3221 ± 0.0017 Å
• b: 12.982 ± 0.003 Å
• c: 15.497 ± 0.004 Å
• α: 98.244 ± 0.003°
• β: 99.337 ± 0.003°
• γ: 101.954 ± 0.003°
• Cell volume: 1397.9 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No