Information card for entry 7018867

Structure parameters

• Formula: C38 H36 F12 N13 O0.5 P2 Ru
• Calculated formula: C38 H35 F12 N13 O0.5 P2 Ru
• SMILES: CN1C=CN2C1=[Ru]134(=C5N(c6cc(cc2[n]36)c2ncccc2)C=CN5C)=C2N(C)C=CN2c2cc(c3ncccc3)cc([n]42)N2C=CN(C=12)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.O
• Title of publication: Ru(ii) complexes with N-heterocyclic carbene ligands or terpyridine analogues: synthesis, characterization, and electrochemical and proton-dependent spectrometric properties.
• Authors of publication: Park, Hee-Jun; Chung, Young Keun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 5678 - 5686
• a: 17.5236 ± 0.0007 Å
• b: 15.218 ± 0.0004 Å
• c: 34.6579 ± 0.0014 Å
• α: 90°
• β: 100.765 ± 0.002°
• γ: 90°
• Cell volume: 9079.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2351
• Weighted residual factors for all reflections included in the refinement: 0.2561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No