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Information card for entry 4003451
Preview
Coordinates | 4003451.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H120 Br12 N6 Pb3 |
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Calculated formula | C54 H120 Br12 N6 Pb3 |
SMILES | Br[Pb]12(Br)(Br)[Br][Pb]([Br]1)([Br]2)([Br]1)([Br]2)[Br][Pb]12(Br)(Br)Br.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC.C[N+]1(CCCC1)CCCC |
Title of publication | Bulk Assemblies of Lead Bromide Trimer Clusters with Geometry-Dependent Photophysical Properties |
Authors of publication | Lee, Sujin; Zhou, Chenkun; Neu, Jennifer; Beery, Drake; Arcidiacono, Ashley; Chaaban, Maya; Lin, Haoran; Gaiser, Alyssa; Chen, Banghao; Albrecht-Schmitt, Thomas E.; Siegrist, Theo; Ma, Biwu |
Journal of publication | Chemistry of Materials |
Year of publication | 2019 |
a | 17.3118 ± 0.0007 Å |
b | 17.3118 ± 0.0007 Å |
c | 21.7019 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5632.7 ± 0.4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0231 |
Residual factor for significantly intense reflections | 0.0225 |
Weighted residual factors for all reflections | 0.0596 |
Weighted residual factors for significantly intense reflections | 0.0592 |
Weighted residual factors for all reflections included in the refinement | 0.0596 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0487 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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