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Information card for entry 7104377
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7104377.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H44 B2 Cl4 Cu F4 N8 |
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Calculated formula | C52 H40 B2 Cu F4 N8 |
SMILES | [B]1(F)(F)[n]2c(C)ccc2=C(c2n1c(C)cc2)c1ccc(cc1)C1=c2[n](ccc2)[Cu]2([n]3cccc3=C(c3ccc(C4=c5ccc(C)[n]5[B](F)(F)n5c4ccc5C)cc3)c3n2ccc3)n2c1ccc2 |
Title of publication | Self-assembly of oligomeric linear dipyrromethene metal complexes. |
Authors of publication | Miao, Qing; Shin, Ji-Young; Patrick, Brian O; Dolphin, David |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 34 |
Journal issue | 18 |
Pages of publication | 2541 - 2543 |
a | 22.128 ± 0.005 Å |
b | 8.5689 ± 0.0018 Å |
c | 27.299 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5176 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
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 | 0.138 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1174 |
Weighted residual factors for all reflections included in the refinement | 0.1361 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.845 |
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/7104377.html
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Users of the data should acknowledge the original authors of the
structural data.