Information card for entry 7030030

Structure parameters

• Formula: C18 H26 N8
• Calculated formula: C18 H26 N8
• SMILES: c1nc(cc(n1)N1CCCN2CCCN=C12)N1CCCN2CCCN=C12
• Title of publication: Stereoselective formation of a meso-diruthenium(ii,ii) complex and tuning the properties of its monoruthenium analogues.
• Authors of publication: Pal, Amlan K.; Hanan, Garry S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6567 - 6577
• a: 16.23 ± 0.0002 Å
• b: 23.4755 ± 0.0004 Å
• c: 8.9782 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3420.76 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No