Information card for entry 4347118

Structure parameters

• Chemical name: PbI2dppn
• Formula: C44 H24 I2 N8 Pb
• Calculated formula: C44 H24 I2 N8 Pb
• Title of publication: Hybrid Organic-Inorganic Coordination Complexes as Tunable Optical Response Materials.
• Authors of publication: Travis, Will; Knapp, Caroline E.; Savory, Christopher N.; Ganose, Alex M.; Kafourou, Panagiota; Song, Xingchi; Sharif, Zainab; Cockcroft, Jeremy K.; Scanlon, David O.; Bronstein, Hugo; Palgrave, Robert G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3393 - 3400
• a: 26.1924 ± 0.0004 Å
• b: 12.5713 ± 0.0002 Å
• c: 33.1849 ± 0.0005 Å
• α: 90°
• β: 91.8576 ± 0.0014°
• γ: 90°
• Cell volume: 10921.1 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No