Information card for entry 7017716

Structure parameters

• Formula: C25 H36 F12 N12 P2 Ru
• Calculated formula: C25 H36 F12 N12 P2 Ru
• SMILES: [Ru]123(=C4N(c5cccc[n]25)C=CN4CN2C=1N(C=C2)c1ccccn1)([NH2]CC[NH2]3)[NH]=C(C)NCCN.C(#N)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis of ruthenium(II) complexes of tetradentate bis(N-pyridylimidazolylidenyl)methane and their reactivities towards N- donors.
• Authors of publication: Liu, Xiaolong; Chen, Wanzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 599 - 608
• a: 12.0111 ± 0.0005 Å
• b: 12.4027 ± 0.0004 Å
• c: 13.1637 ± 0.0004 Å
• α: 90.6 ± 0.003°
• β: 93.233 ± 0.003°
• γ: 113.242 ± 0.004°
• Cell volume: 1797.84 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No