Information card for entry 2206153

Structure parameters

• Common name: (MB)[PbI~3~].DMF
• Chemical name: catena-Poly[[[3,7-bis(dimethylamino)phenazathionium] lead(II)-tri-μ-iodo] N,N'-dimethylformamide]
• Formula: C19 H25 I3 N4 O Pb S
• Calculated formula: C19 H25 I3 N4 O Pb S
• SMILES: c1(N(C)C)cc2[s+]c3cc(ccc3nc2cc1)N(C)C.I[Pb](I)[I-].O=CN(C)C
• Title of publication: <i>catena</i>-Poly[[[3,7-bis(dimethylamino)phenothiazonium] lead(II)-tri-μ-iodo] <i>N</i>,<i>N</i>'-dimethylformamide]
• Authors of publication: Ming-Tian Li; Qin-Ling Liao; Xu-Cheng Fu; Cheng-Gang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1396 - m1397
• a: 23.458 ± 0.007 Å
• b: 13.923 ± 0.004 Å
• c: 8.228 ± 0.002 Å
• α: 90°
• β: 101.163 ± 0.005°
• γ: 90°
• Cell volume: 2636.5 ± 1.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes