Information card for entry 4339290

Structure parameters

• Common name: [Ru(Me2bpb)(NO)(vinyl-py)]BF4.toluene
• Formula: C34 H31 B F4 N6 O3 Ru
• Calculated formula: C34 H31 B F4 N6 O3 Ru
• SMILES: [Ru]123([n]4ccccc4C(=O)N1c1cc(c(cc1N2C(=O)c1[n]3cccc1)C)C)(N=O)[n]1ccc(cc1)C=C.c1(ccccc1)C.[B](F)(F)(F)[F-]
• Title of publication: Incorporation of a designed ruthenium nitrosyl in PolyHEMA hydrogel and light-activated delivery of NO to myoglobin.
• Authors of publication: Halpenny, Genevieve M.; Olmstead, Marilyn M.; Mascharak, Pradip K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6601 - 6606
• a: 7.9672 ± 0.0013 Å
• b: 14.871 ± 0.002 Å
• c: 15.172 ± 0.003 Å
• α: 112.833 ± 0.002°
• β: 100.06 ± 0.002°
• γ: 90.316 ± 0.002°
• Cell volume: 1625.9 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0594
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No