Information card for entry 7006032

Structure parameters

• Formula: C74 H90 B N5 P2 Ru3
• Calculated formula: C74 H90 B N5 P2 Ru3
• SMILES: [Ru]1234567([Ru]89%10%11%12%13([Ru]%14%15%16%171([N]28C#[N][B](CC)(CC)CC)([N]39C#N)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and reactivities of a bis(cyanamido)-capped triruthenium complex.
• Authors of publication: Tanabe, Yoshiaki; Kajitani, Hidenobu; Iwasaki, Masakazu; Ishii, Youichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 41
• Pages of publication: 4701 - 4707
• a: 10.842 ± 0.004 Å
• b: 17.058 ± 0.006 Å
• c: 18.305 ± 0.005 Å
• α: 88.78 ± 0.018°
• β: 88.233 ± 0.018°
• γ: 86.027 ± 0.017°
• Cell volume: 3375 ± 2 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No