Information card for entry 7206169

Structure parameters

• Formula: C18 H15 N12 Ru
• Calculated formula: C18 H15 N12 Ru
• SMILES: [Ru]123(n4ccnc4c4[n]1cc[nH]4)(n1ccnc1c1[n]2cc[nH]1)n1ccnc1c1[n]3cc[nH]1
• Title of publication: Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions
• Authors of publication: Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 4512
• a: 12.2028 ± 0.0012 Å
• b: 12.6711 ± 0.0012 Å
• c: 17.5676 ± 0.0013 Å
• α: 90°
• β: 131.125 ± 0.004°
• γ: 90°
• Cell volume: 2046.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No