Information card for entry 4349191

Structure parameters

• Chemical name: RhMOP_H_DMPU_153K
• Formula: C192 H96 O120 Rh24
• Calculated formula: C192 H96 O120 Rh24
• SMILES: C12c3cccc(c3)C3=[O][Rh]456([O]=C7c8cccc(c8)C8=[O][Rh]9%10%11([O]=C%12c%13cccc(C%14=[O][Rh]%15%16%17([O]=C%18c%19cccc(c%19)C%19=[O][Rh]%20%21%22([O]=C%23c%24cccc(c%24)C%24=[O][Rh]%25%26%27([O]=C%28c%29cccc(C%30=[O][Rh]%31%32(O1)([O]=C1O[Rh]%32([O]=2)(O%30)([O]=C(O%31)c2cccc(c2)C2=[O][Rh]%30%31%32([O]=C%33c%34cccc(c%34)C%34=[O][Rh]%35%36%37([O]=C%38c%39cccc(c%39)C(O%10)=[O][Rh]%11(O%12)([O]=C(c%10cccc(C%11=[O][Rh]%12%39%40([O]=C%41c%42cccc(C%43=[O][Rh]%44%45%46([O]=C%47c%48cccc(c%48)C(O%26)=[O][Rh]%27(O%28)([O]=C(c%26cccc(C(O%30)=[O][Rh]%32(O%33)(O2)([O]=C(O%31)c2cccc(C%27=[O][Rh]%28%30%31([O]=C%32c%33cccc(c%33)C(O%36)=[O][Rh]%37(O%38)([O]=C(c%33cccc(C(O5)=[O][Rh]6(O7)([O]=C(c5cccc(c5)C5=[O][Rh]67%36([O]=C%37c%38cccc(c%38)C(O%39)=[O][Rh]%40(O%41)([O]=C(c%38cccc(C(O%16)=[O][Rh]%17(O%18)([O]=C(O%15)c%15cccc(c%15)C(O%28)=[O][Rh]%31(O%27)(O%32)([O]=C(c%15cccc(C(O%20)=[O][Rh]%22(O%23)(O%19)([O]=C(c%16cccc(c%16)C(O%44)=[O][Rh]%46(O%47)(O%43)([O]=C(c%16cccc(C(O6)=[O][Rh]%36(O%37)([O]=C(c6cccc1c6)O7)(O5)[OH2])c%16)O%45)[OH2])O%21)[OH2])c%15)O%30)[OH2])(O%14)[OH2])c%38)O%12)(O%11)[OH2])[OH2])O4)(O3)[OH2])c%33)O%35)(O%34)[OH2])[OH2])c2)[OH2])c%26)O%25)(O%24)[OH2])[OH2])c%42)[OH2])c%10)O9)(O8)[OH2])[OH2])[OH2])[OH2])[OH2])c%29)[OH2])[OH2])[OH2])c%13)[OH2])[OH2]
• Title of publication: Rhodium-Organic Cuboctahedra as Porous Solids with Strong Binding Sites.
• Authors of publication: Furukawa, Shuhei; Horike, Nao; Kondo, Mio; Hijikata, Yuh; Carné-Sánchez, Arnau; Larpent, Patrick; Louvain, Nicolas; Diring, Stéphane; Sato, Hiroshi; Matsuda, Ryotaro; Kawano, Ryuji; Kitagawa, Susumu
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 10843 - 10846
• a: 22.543 ± 0.005 Å
• b: 24.369 ± 0.005 Å
• c: 24.845 ± 0.005 Å
• α: 97.049 ± 0.002°
• β: 114.107 ± 0.001°
• γ: 111.849 ± 0.002°
• Cell volume: 10939 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No