Information card for entry 7046294

Structure parameters

• Formula: C22 H32 Br3 N3 O8 Pb2
• Calculated formula: C22 H32 Br3 N3 O8 Pb2
• Title of publication: Dual emissions and thermochromic luminescences of isomorphic chiral twofold interpenetrated 3-D nets built from I¹O² type hybrid inorganic-organic frameworks of [NH₂(CH₃)₂]₃[Pb₂X₃(BDC)₂] (X = Br, I).
• Authors of publication: Liu, Shao-Xian; Yuan, Guo-Jun; Zhai, Lu; Wang, Lifeng; Luo, Hong-Bin; Ren, Xiao-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 40
• Pages of publication: 14233 - 14240
• a: 13.8177 ± 0.0005 Å
• b: 13.8177 ± 0.0005 Å
• c: 16.3601 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3123.6 ± 0.3 ų
• Cell temperature: 295.15 K
• Ambient diffraction temperature: 295.15 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No