Information card for entry 7024782

Structure parameters

• Formula: C38 H29 N4 O P Ru
• Calculated formula: C38 H29 N4 O P Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)(C(C(=C(C#N)C#N)c6ccccc6)=C(C(=[NH]1)OC)C#N)[cH]1[cH]2[cH]3[cH]4[cH]51
• 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: 10.1827 ± 0.0001 Å
• b: 19.079 ± 0.0002 Å
• c: 16.49 ± 0.0001 Å
• α: 90°
• β: 104.38 ± 0.001°
• γ: 90°
• Cell volume: 3103.24 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No