Information card for entry 7024783

Structure parameters

• Formula: C41 H35 N7 Na O P Ru
• Calculated formula: C41 H35 N7 Na O P Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)(C(=C(C#N)c6n1nnn6)C(=C(C#N)C#N)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51.[Na+].CCOCC
• Title of publication: Some reactions of an eta3-tetracyanobutadienyl-ruthenium complex.
• Authors of publication: Bruce, Michael I.; Fox, Mark A.; Low, Paul J.; Skelton, Brian W.; Zaitseva, Natasha N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3759 - 3770
• a: 19.5078 ± 0.0008 Å
• b: 9.6382 ± 0.0002 Å
• c: 22.4454 ± 0.0009 Å
• α: 90°
• β: 115.464 ± 0.005°
• γ: 90°
• Cell volume: 3810.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1078
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No