Information card for entry 7110686

Structure parameters

• Formula: C172 H212 N8 O40 Rh8
• Calculated formula: C172 H212 N8 O40 Rh8
• SMILES: c12ccc(cc1)C1=[O][Rh]345([n]6ccc(cc6)C(C)(C)C)[O]=C(c6ccc(C7=[O][Rh]89%10([n]%11ccc(cc%11)C(C)(C)C)[O]=C(c%11ccc(cc%11)C%11=[O][Rh]%12%13%14([n]%15ccc(cc%15)C(C)(C)C)[O]=C(c%15ccc(C%16=[O][Rh]%17%18%19([n]%20ccc(cc%20)C(C)(C)C)[O]=C2O[Rh]2%19([n]%19ccc(cc%19)C(C)(C)C)(O%16)[O]=C(O%17)C(C)(C)Oc%16cc(OC(C(=[O]%18)O2)(C)C)ccc%16)cc%15)O[Rh]2%14([n]%14ccc(cc%14)C(C)(C)C)(O%11)[O]=C(C(C)(C)Oc%11cc(ccc%11)OC(C)(C)C(=[O]%13)O2)O%12)O[Rh]2%10([n]%10ccc(cc%10)C(C)(C)C)(O7)[O]=C(O8)C(C)(C)Oc7cc(OC(C)(C)C(=[O]9)O2)ccc7)cc6)O[Rh]25([n]5ccc(cc5)C(C)(C)C)(O1)[O]=C(C(C)(C)Oc1cc(ccc1)OC(C)(C)C(=[O]2)O4)O3.CCCCCC.CCCCCC
• Title of publication: Dinuclear complexes as connectors for carboxylates. Self-assembly of a molecular box
• Authors of publication: Bonar-Law, Richard P.; McGrath, Thomas D.; Singh, Nirmal; Bickley, Jamie F.; Steiner, Alexander
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 2457
• a: 13.485 ± 0.002 Å
• b: 19.834 ± 0.003 Å
• c: 23.522 ± 0.005 Å
• α: 69.66 ± 0.02°
• β: 75.12 ± 0.02°
• γ: 83.331 ± 0.019°
• Cell volume: 5698.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2313
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 0.628
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No