Information card for entry 7205830

Structure parameters

• Formula: C96 H144 I22 N12 O2 Pb6
• Calculated formula: C96 H144 I22 N12 O2 Pb6
• SMILES: [Pb]12(I)(I)(I)[I][Pb]345([I]1[Pb]1([I]2)(I)(I)[I]3[Pb]23([I][Pb]6(I)(I)(I)[I]2[Pb]([I]4)([I]6)(I)(I)[I]53)([I]1)I)I.c1cc(cc[n+]1CCCC)c1cc[n+](cc1)CCCC.c1cc(cc[n+]1CCCC)c1cc[n+](cc1)CCCC.CN(C)C=O.c1cc(cc[n+]1CCCC)c1cc[n+](cc1)CCCC.c1cc(cc[n+]1CCCC)c1cc[n+](cc1)CCCC.[n+]1(ccc(cc1)c1cc[n+](cc1)CCCC)CCCC.N(C)(C)C=O
• Title of publication: Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties
• Authors of publication: Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2571
• a: 15.7586 ± 0.001 Å
• b: 13.6737 ± 0.0009 Å
• c: 33.957 ± 0.002 Å
• α: 90°
• β: 100.383 ± 0.001°
• γ: 90°
• Cell volume: 7197.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No