Information card for entry 7024781

Structure parameters

• Formula: C37 H25 N4 P Ru
• Calculated formula: C37 H25 N4 P Ru
• SMILES: [Ru]123456(C([C]2(=[C]1(C#N)C#N)c1ccccc1)=C(C#N)C#N)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]3[cH]4[cH]5[cH]61
• 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: 8.7167 ± 0.0001 Å
• b: 17.6764 ± 0.0002 Å
• c: 19.8463 ± 0.0002 Å
• α: 90°
• β: 99.231 ± 0.001°
• γ: 90°
• Cell volume: 3018.31 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No