Information card for entry 7204812

Structure parameters

• Chemical name: [Pb(dimb)(SCN)2]
• Formula: C34 H32 N12 O0 Pb2 S4
• Calculated formula: C34 H32 N12 Pb2 S4
• SMILES: N(=C=S)[Pb]1(N=C=S)[n]2ccn(Cc3cc(cc(c3)C)Cn3c[n](cc3)[Pb](N=C=S)(N=C=S)[n]3cn(Cc4cc(Cn5c[n]1cc5)cc(c4)C)cc3)c2
• Title of publication: Novel Pb(ii) coordination frameworks: synthesis, crystal structures and unusual third-order nonlinear optical propertiesElectronic supplementary information (ESI) available: crystal packing diagram of complex 2. See http://www.rsc.org/suppdata/jm/b3/b315682f/
• Authors of publication: Sui, Bin; Zhao, Wei; Ma, Guohong; Okamura, Taka-aki; Fan, Jian; Li, Yi-Zhi; Tang, Sing-Hai; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2004
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 1631
• a: 11.968 ± 0.002 Å
• b: 10.0376 ± 0.0018 Å
• c: 16.579 ± 0.003 Å
• α: 90°
• β: 92.804 ± 0.003°
• γ: 90°
• Cell volume: 1989.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No