Information card for entry 7041157

Structure parameters

• Formula: C90 H72 Br24 Co5 N18 Pb7
• Calculated formula: C90 H72 Br24 Co5 N18 Pb7
• SMILES: [n]12c(cccc1)c1[n]([Co]342([n]2c(cccc2)c2[n]3cccc2)[n]2c(cccc2)c2[n]4cccc2)cccc1.[n]12ccccc1c1[n](cccc1)[Co]132([n]2ccccc2c2[n]1cccc2)[n]1ccccc1c1[n]3cccc1.Br[Pb]1([Br][Pb]23([Br][Co]4([n]5ccccc5c5cccc[n]45)[Br]2)([Br][Pb]([Br][Pb]24([Br][Co]5([n]6ccccc6c6cccc[n]56)[Br]2)([Br][Pb]2(Br)Br)[Br]1)([Br][Pb]15([Br]2)([Br][Co]2([n]6ccccc6c6cccc[n]26)[Br]1)[Br][Pb]1(Br)Br)([Br]3)([Br]4)[Br]5)[Br]1)Br
• Title of publication: Transition metal complex directed lead bromides with tunable structures and visible light driven photocatalytic properties.
• Authors of publication: Lei, Xiao-Wu; Yue, Cheng-Yang; Wei, Jun-Chao; Li, Rui-Qing; Li, Yan; Mi, Fu-Qi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 19389 - 19398
• a: 21.3648 ± 0.0019 Å
• b: 21.3648 ± 0.0019 Å
• c: 22.577 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8924.7 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No