Information card for entry 7115633

Structure parameters

• Formula: C288 H240 Ag6 F84 N72 P14 Ru4
• Calculated formula: C288 H240 Ag6 F84 N72 P14 Ru4
• SMILES: [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-].[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-].[Ag]123[n]4c(cccc4)c4ccn(Cc5ccc(Cn6ccc7c8cccc[n]8[Ru]89%10([n]%11c(cccc%11)c%11ccn(Cc%12ccc(cc%12)Cn%12ccc%13c%14cccc[n]%14[Ag]%14([n]%15c(cccc%15)c%15ccn(Cc%16ccc(Cn%17ccc%18c%19cccc[n]%19[Ru]%19%20%21([n]%22c(cccc%22)c%22ccn(Cc%23ccc(cc%23)Cn%23ccc%24c%25cccc[n]%25[Ag]%25([n]%26c(cccc%26)c%26ccn(Cc%27ccc(Cn%28ccc%29c%30cccc[n]%30[Ru]%30%31([n]%32c(cccc%32)c%32ccn(Cc%33ccc(Cn%34ccc%35c%36cccc[n]%36[Ag]%36([n]%37c(cccc%37)c%37ccn(Cc%38ccc(Cn%39ccc%40c%41[n]([Ru]%42%43([n]%44c(cccc%44)c%44ccn(Cc%45ccc(cc%45)Cn%45ccc%46c%47cccc[n]%47[Ag]%47([n]%48c(c%49cccc[n]%47%49)ccn%48Cc%47ccc(Cn%48[n]9c(c9cccc[n]%109)cc%48)cc%47)[n]%45%46)[n]%42%44)([n]9c(cccc9)c9ccn(Cc%10ccc(cc%10)Cn%10ccc%42c%44cccc[n]%44[Ag]%44([n]%45c(cccc%45)c%45ccn(Cc%46ccc(Cn%47ccc(c%48cccc[n]%19%48)[n]%21%47)cc%46)[n]%44%45)[n]%10%42)[n]%439)[n]%39%40)cccc%41)cc%38)[n]%36%37)[n]%34%35)cc%33)[n]%31%32)([n]9c(cccc9)c9ccn(Cc%10ccc(cc%10)Cn%10ccc(c%19cccc[n]2%19)[n]3%10)[n]%309)[n]%28%29)cc%27)[n]%25%26)[n]%23%24)[n]%20%22)[n]%17%18)cc%16)[n]%14%15)[n]%12%13)[n]8%11)[n]67)cc5)[n]14.[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-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Stepwise assembly of an adamantoid Ru4Ag6 cage by control of metal coordination geometry at specific sites
• Authors of publication: Alexander J. Metherell; Michael D. Ward
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10979
• a: 24.688 ± 0.003 Å
• b: 30.324 ± 0.004 Å
• c: 25.247 ± 0.003 Å
• α: 90°
• β: 102.819 ± 0.002°
• γ: 90°
• Cell volume: 18430 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1658
• Residual factor for significantly intense reflections: 0.1405
• Weighted residual factors for significantly intense reflections: 0.4104
• Weighted residual factors for all reflections included in the refinement: 0.4293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.618
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No