Information card for entry 4323618

Structure parameters

• Formula: C38 H51 N5 O3 Ru
• Calculated formula: C38 H50 N5 O3 Ru
• SMILES: [Ru]123(n4c5=Cc6[n]3c(=Cc3n2c(C=c2[n]1c(C=c4c(c5CC)CC)c(c2CC)CC)c(c3CC)CC)c(c6CC)CC)(N=O)O.OCC
• Title of publication: Synthesis and Structural Characterization of Several Ruthenium Porphyrin Nitrosyl Complexes
• Authors of publication: Katrina M. Miranda; Xianhui Bu; Ivan Lorković; Peter C. Ford
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4838 - 4848
• a: 10.8474 ± 0.0007 Å
• b: 21.0021 ± 0.0013 Å
• c: 8.3646 ± 0.0005 Å
• α: 90°
• β: 103.571 ± 0.001°
• γ: 90°
• Cell volume: 1852.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections: 0.1539
• Weighted residual factors for significantly intense reflections: 0.1384
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No