Information card for entry 4128513

Structure parameters

• Formula: C192 H96 O121 Rh24
• Calculated formula: C192 H96 O121 Rh24
• SMILES: c1c2cccc1C1=[O][Rh]345([Rh]67([O]=C(c8cc(ccc8)C8=[O][Rh]9%10%11([Rh]%12%13([O]=C(c%14cc(ccc%14)C%14=[O][Rh]%15%16%17([Rh]%18([O]=C2O%15)([OH2])([O]=C(c2cc(ccc2)C2=[O][Rh]%15%19%20([Rh]%21%22([O]=C(c%23cc(ccc%23)C%23=[O][Rh]%24%25%26([Rh]%27([O]=C(c%28cc(ccc%28)C%28=[O][Rh]%29%30%31([Rh]%32([O]=C(c%33cc(ccc%33)C(=[O]%20)O%22)O%29)([O]=C(c%20cc(ccc%20)C%20=[O][Rh]%22%29%33([Rh]%34%35([O]=C(c%36cc(ccc%36)C%36=[O][Rh]%37%38%39([Rh]([O]=C(c%40cc(ccc%40)C%40=[O][Rh]%41%42%43([Rh]([O]=C(c%44cc(ccc%44)C(=[O]%33)O%35)O%41)([OH2])(OC(c%33cc(ccc%33)C(=[O]5)O7)=[O]%42)([O]=C(c5cc(ccc5)C5=[O][Rh]7%33%35([Rh]%41([O]=C(c%42cc(ccc%42)C%42=[O][Rh]%44%45%46([Rh]([O]=C(c%47cc(ccc%47)C%47=[O][Rh]%48%49%50([Rh]([O]=C(c%51cc(ccc%51)C(=[O]%35)O%41)O%48)([OH2])(OC(c%35cc(ccc%35)C(=[O]%31)O%32)=[O]%49)([O]=C(c%31cc(ccc%31)C(O%29)=[O]%34)O%50)O%47)[OH2])O%44)(OC(c%29cc(ccc%29)C(=[O]%17)O%18)=[O]%45)([O]=C(c%17cc(ccc%17)C(O%19)=[O]%21)O%46)(O%42)[OH2])[OH2])O7)([OH2])(O5)[O]=C(c5cc(ccc5)C(O4)=[O]6)O%33)[OH2])O%43)O%40)[OH2])O%37)([OH2])([O]=C(c4cc(ccc4)[C](O%26)O%27)O%38)([O]=C(c4cc(ccc4)C(=[O]%10)O%12)O%39)O%36)[OH2])O%22)([OH2])O%20)[OH2])O%30)(O%28)[OH2])[OH2])O%24)([OH2])([O]=C(c4cc(ccc4)C(O%11)=[O]%13)O%25)O%23)[OH2])O%15)([OH2])O2)[OH2])O%16)O%14)[OH2])O9)([OH2])O8)[OH2])O3)(O1)[OH2])[OH2].O
• Title of publication: Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.
• Authors of publication: Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 9
• Pages of publication: 4094 - 4102
• a: 27.48 ± 0.004 Å
• b: 27.48 ± 0.004 Å
• c: 27.48 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20752 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.3209
• Weighted residual factors for all reflections included in the refinement: 0.3305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7
• Diffraction radiation wavelength: 0.82656 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No