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Information card for entry 4328402
Preview
Coordinates | 4328402.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C94 H74 B4 F16 N18 Pd4 |
---|---|
Calculated formula | C94 H74 B4 F16 N18 Pd4 |
SMILES | [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1ccc2ccc3ccc[n]4c3c2[n]1[Pd]14n2[n]3c(c(c2C)c2ccc4n(C)c5ccc(cc5c4c2)c2c(n4[n](c2C)[Pd]2([n]5cccc6ccc7ccc[n]2c7c56)[n]2n(c(C)c(c2C)c2ccc5n(C)c6ccc(cc6c5c2)c2c(n1[n]([Pd]13[n]3cccc5c3c3[n]1cccc3cc5)c2C)C)[Pd]14[n]2cccc3ccc4ccc[n]1c4c23)C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Self-Assembly of [M8L4] and [M4L2] Fluorescent Metallomacrocycles with Carbazole-Based Dipyrazole Ligands |
Authors of publication | Lin Qin; Liao-Yuan Yao; Shu-Yan Yu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 2443 - 2453 |
a | 21.622 ± 0.002 Å |
b | 30.812 ± 0.003 Å |
c | 22.008 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 14662 ± 2 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0756 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1268 |
Weighted residual factors for all reflections included in the refinement | 0.1325 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4328402.html
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