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Information card for entry 7031040
Preview
Coordinates | 7031040.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H30 N4 |
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Calculated formula | C32 H30 N4 |
SMILES | n1nc(c2c3cc(cc4cc(cc(c2c1c1ncccc1)c34)C(C)(C)C)C(C)(C)C)c1ncccc1 |
Title of publication | Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids? |
Authors of publication | Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 28 |
Pages of publication | 11027 - 11038 |
a | 10.2436 ± 0.0003 Å |
b | 10.6985 ± 0.0002 Å |
c | 12.3052 ± 0.0003 Å |
α | 76.3104 ± 0.0014° |
β | 81.3365 ± 0.0012° |
γ | 76.8533 ± 0.0015° |
Cell volume | 1269.2 ± 0.05 Å3 |
Cell temperature | 160 ± 1 K |
Ambient diffraction temperature | 160 ± 1 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0837 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.124 |
Weighted residual factors for all reflections included in the refinement | 0.145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7031040.html
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