Information card for entry 7018802

Structure parameters

• Formula: C68 H96 N12 Ni2 O24 Ru4
• Calculated formula: C68 H96 N12 Ni2 O24 Ru4
• SMILES: c12ccccc1[N]1=Cc3ccccc3[O]3[Ru]451(=[N]=[Ru]16([N](c7c(O1)cccc7)=Cc1ccccc1O6)([OH]C)[N]#N=N[Ni]163([O]5(C)[Ni]35([O]4C)(N=N#[N][Ru]47(=[N]=[Ru]89([N](c%10c(cccc%10)O9)=Cc9ccccc9[O]38)([O]15C)[O]6C)([N](c1c(O4)cccc1)=Cc1ccccc1O7)[OH]C)[OH]C)[OH]C)O2.OC.CO.CO.CO.OC.CO.CO.CO
• Title of publication: A novel triazidoruthenium(iii) building block for the construction of polynuclear compounds
• Authors of publication: Xiang, Jing; Jia, Li-Hui; Man, Wai-Lun; Qian, Kang; Lee, Gene-Hsiang; Peng, Shie-Ming; Yiu, Shek-Man; Gao, Song; Lau, Tai-Chu
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5794
• a: 11.4249 ± 0.0006 Å
• b: 11.8191 ± 0.0005 Å
• c: 17.1649 ± 0.0007 Å
• α: 108.293 ± 0.003°
• β: 91.44 ± 0.003°
• γ: 111.629 ± 0.003°
• Cell volume: 2019.52 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0978
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No