Information card for entry 7241689

Structure parameters

• Formula: C125 H116 Cl4 Dy2 K2
• Calculated formula: C125 H116 Cl4 Dy2 K2
• SMILES: [c]123[cH]4[cH]5[c]6([cH]7[cH]1[K]189%10%11%12%13%1434567[c]3([cH]%11[cH]%10[c]9([cH]8[cH]13)C)[c]13[cH]4[c]5(c6ccc(cc6)C)[cH]6[c]1(c1ccc(cc1)C)[Dy]1789%103456([c]3(c4ccc(cc4)C)[cH]1[c]7(c1ccc(cc1)C)[c]8([cH]93)[c]13[cH]4[cH]5[c]6([cH]7[cH]1[K]189%11%15%16%1734567([c]3([cH]%15[cH]%11[c]9([cH]8[cH]13)C)[c]13[cH]4[c]5(c6ccc(cc6)C)[cH]6[c]1(c1ccc(cc1)C)[Dy]17893456([c]32[cH]9[c]8([cH]7[c]13c1ccc(cc1)C)c1ccc(cc1)C)([Cl]%14%16)[Cl]%17)[Cl]%13%10)C)[Cl]%12)C.c1ccc(cc1)C.c1ccccc1C.Cc1ccccc1
• Title of publication: Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters
• Authors of publication: Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 65
• Pages of publication: 39366 - 39372
• a: 17.1088 ± 0.0007 Å
• b: 17.778 ± 0.0008 Å
• c: 20.6046 ± 0.0009 Å
• α: 69.756 ± 0.002°
• β: 79.617 ± 0.002°
• γ: 62.673 ± 0.002°
• Cell volume: 5222 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0633
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No