Information card for entry 7019963

Structure parameters

• Formula: C77 H109 Mn6 N8 O49 Yb3
• Calculated formula: C77 H90 Mn6 N7 O40 Yb3
• SMILES: [Yb]1234567[O](C)[Mn]89%10([N](=Cc%11c(O8)cccc%11)CC[C@H]([O]29)C2[O]3[Yb]389%11%12%13[O]%14[Yb]%15%16%17%18%19([O](C)[Mn]%20%21([N](=Cc%22c(O%21)cccc%22)CC[C@H]([O]%16%20)C([O]4%17)=[O]%10)([O]=C%14[C@H]4[O]3[Mn]3([N](=Cc%10c(O3)cccc%10)CC4)([O]=2)([O]9C)[OH]C)[OH2])[O](C)[Mn]234([N](=Cc9c(O3)cccc9)CC[C@H]([O]%184)C([O]%11%19)=[O][Mn]34([N](=Cc9c(O3)cccc9)CC[C@H]([O]%124)C([O]7%13)=[O][Mn]34([N](=Cc7c(O3)cccc7)CC[C@H]([O]54)C([O]6%15)=[O]2)([O]1C)[OH2])([O]8C)[OH]C)OC(=O)C)[OH]C.N(=O)(=O)[O-]
• Title of publication: Stepwise assembly of homochiral coordination polymers based on the precursor of an enantiopure Yb(3)Mn(6) cluster.
• Authors of publication: Zheng, Yong; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 35
• Pages of publication: 10518 - 10520
• a: 28.0789 ± 0.0016 Å
• b: 28.1344 ± 0.0013 Å
• c: 14.2827 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11283.1 ± 1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No