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Information card for entry 7216102
Preview
Coordinates | 7216102.cif |
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Original paper (by DOI) | HTML |
Common name | N,N'-Bis(2-pyridyl)-4,4'-oxybis(aminobenzene) phenazine 1:2 complex |
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Chemical name | N,N'-Bis(2-pyridyl)-4,4'-oxybis(aminobenzene) phenazine 1:2 complex |
Formula | C46 H34 N8 O |
Calculated formula | C46 H34 N8 O |
SMILES | n1c(cccc1)Nc1ccc(cc1)Oc1ccc(cc1)Nc1ncccc1.n1c2ccccc2nc2ccccc12.n1c2ccccc2nc2ccccc12 |
Title of publication | Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines |
Authors of publication | Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz |
Journal of publication | CrystEngComm |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 71 |
Pages of publication | 433 |
a | 7.1084 ± 0.0005 Å |
b | 12.7044 ± 0.0007 Å |
c | 20.4711 ± 0.0012 Å |
α | 86.329 ± 0.005° |
β | 81.084 ± 0.005° |
γ | 77.767 ± 0.005° |
Cell volume | 1783.96 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0738 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.126 |
Weighted residual factors for all reflections included in the refinement | 0.1472 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
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/7216102.html
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structural data.