Information card for entry 7223883

Structure parameters

• Formula: C296 H264 B11 Co4 F80 N80 Na O16 P6 Ru4
• Calculated formula: C296 H264 B7 Co4 F64 N80 Na O16 P6 Ru4
• SMILES: [B](F)([F-])(F)F.[Na+].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[Co]12345[n]6n(ccc6c6[n]2cccc6)Cc2cc(Cn6[n]7[Ru]89%10([n]%11c(c%12cccc[n]9%12)ccn%11Cc9cc(ccc9)Cn9[n]%11[Co]%12%13%14([n]%15n(ccc%15c%15[n]%13cccc%15)Cc%13cc(Cn%15[n]%16[Ru]%17%18([n]%19c(c%20cccc[n]%17%20)ccn%19Cc%17cc(ccc%17)Cn%17[n]%19[Co]%20%21%22([n]%23n(ccc%23c%23[n]%20cccc%23)Cc%20cc(Cn%23[n]%24[Ru]%25%26([n]%27c(c%28cccc[n]%25%28)ccn%27Cc%25cc(ccc%25)Cn%25[n]%27[Co]%28%29([n]%30n(ccc%30c%30[n]%28cccc%30)Cc%28cc(Cn%30ccc%31c%32cccc[n]%32[Ru]%32%33([n]%34c(c%35ccn(Cc%36cc(ccc%36)Cn%36ccc(c%37cccc[n]%21%37)[n]%22%36)[n]%32%35)cccc%34)([n]%21c(c%22ccn(Cc%32cc(ccc%32)Cn%32ccc(c%34cccc[n]4%34)[n]5%32)[n]%33%22)cccc%21)[n]%30%31)ccc%28)([n]4n(ccc4c4[n]%29cccc4)Cc4cc(Cn5ccc(c%21cccc[n]%10%21)[n]85)ccc4)[n]4c(c%27cc%25)cccc4)([n]4c(c5cccc[n]%265)ccn4Cc4cc(ccc4)Cn4[n]%12c(c5[n]%14cccc5)cc4)[n]4c(c%24cc%23)cccc4)ccc%20)[n]4c(c%19cc%17)cccc4)([n]4c(c5cccc[n]%185)ccn4Cc4cc(ccc4)Cn4[n]1c(c1[n]3cccc1)cc4)[n]1c(c%16cc%15)cccc1)ccc%13)[n]1c(c%11cc9)cccc1)[n]1c(c7cc6)cccc1)ccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CN(=O)=O.CN(=O)=O.O=N(=O)C.O=N(=O)C.O=N(=O)C.O=N(=O)C.O=N(=O)C.O=N(=O)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Stepwise synthesis of mixed-metal assemblies using pre-formed Ru(II) ‘complex ligands’ as building blocks
• Authors of publication: Metherell, Alexander; Ward, Michael D.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 31.3553 ± 0.0012 Å
• b: 31.3553 ± 0.0012 Å
• c: 21.721 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21355.1 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2209
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No